2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole

C16H11N7O2 — CID 136650514

IUPAC2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
SMILESc1cc(-c2c(-c3ncc[nH]3)c[nH]c2-c2nc(-c3ccon3)co2)[nH]n1
InChIInChI=1S/C16H11N7O2/c1-3-20-22-11(1)13-9(15-17-4-5-18-15)7-19-14(13)16-21-12(8-24-16)10-2-6-25-23-10/h1-8,19H,(H,17,18)(H,20,22)
InChIKeySTTXJWFLSRVFHP-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.10
Rot. Bonds4

About 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole

2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole (PubChem CID 136650514) has the molecular formula C16H11N7O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
PubChem CID136650514
Molecular FormulaC16H11N7O2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
SMILESc1cc(-c2c(-c3ncc[nH]3)c[nH]c2-c2nc(-c3ccon3)co2)[nH]n1
InChIInChI=1S/C16H11N7O2/c1-3-20-22-11(1)13-9(15-17-4-5-18-15)7-19-14(13)16-21-12(8-24-16)10-2-6-25-23-10/h1-8,19H,(H,17,18)(H,20,22)
InChIKeySTTXJWFLSRVFHP-UHFFFAOYSA-N
XLogP3.10
TPSA125.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole
CID 123643050
2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136628730
5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
CID 141012990
2-(1H-azepin-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1,2-oxazole
CID 141013181
4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole
CID 141135912
furo[2,3-c]pyridine;furo[3,2-c]pyridine;3H-imidazo[4,5-c]pyridine;[1,2]oxazolo[4,3-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine
CID 157336686
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);bis(2-propan-2-yl-1,3-oxazole);bis(3-propan-2-yl-1,2-oxazole);bis(4-propan-2-yl-1,2-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,2-oxazole);bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157586896
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-2,5-dimethyl-1,3-oxazole;2-tert-butyl-3-ethylfuran;5-tert-butyl-4-ethyl-2-methyl-1,3-oxazole;5-tert-butyl-4-ethyl-3-methyl-1,2-oxazole;4-tert-butyl-3-ethyl-1-methylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3H-pyrrole
CID 157790182
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1H-imidazole;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)pyrazole;3,5-bis(2,2-dimethylpropyl)-1H-pyrazole;2,4-bis(2,2-dimethylpropyl)-3H-pyrrole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158153375
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);bis(1,5-dimethylpyrazole);bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);2,5-dimethyltetrazole;1,5-dimethyl-2H-tetrazol-1-ium;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole
CID 158267241
2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158350519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole (CID 136650514) is 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole is c1cc(-c2c(-c3ncc[nH]3)c[nH]c2-c2nc(-c3ccon3)co2)[nH]n1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole?
The InChIKey is STTXJWFLSRVFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O2/c1-3-20-22-11(1)13-9(15-17-4-5-18-15)7-19-14(13)16-21-12(8-24-16)10-2-6-25-23-10/h1-8,19H,(H,17,18)(H,20,22).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole?
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole has a molecular weight of 333.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 136650514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).