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

C16H23N3O2 — CID 101336400

IUPAC2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(Cc2ccc(CC3=NC(C)(C)CO3)[nH]2)=N1
InChIInChI=1S/C16H23N3O2/c1-15(2)9-20-13(18-15)7-11-5-6-12(17-11)8-14-19-16(3,4)10-21-14/h5-6,17H,7-10H2,1-4H3
InChIKeyDZMGJGBLZBBTKL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds4

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

2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101336400) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101336400
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(Cc2ccc(CC3=NC(C)(C)CO3)[nH]2)=N1
InChIInChI=1S/C16H23N3O2/c1-15(2)9-20-13(18-15)7-11-5-6-12(17-11)8-14-19-16(3,4)10-21-14/h5-6,17H,7-10H2,1-4H3
InChIKeyDZMGJGBLZBBTKL-UHFFFAOYSA-N
XLogP2.51
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
CID 3041075
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 142932736
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
CID 163449515
2-[(3-chloro-2-nitrophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11380174
(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
CID 102021368
2-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-3-nitrobenzonitrile
CID 11242379
2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705204
4,4-dimethyl-2-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-5H-1,3-oxazole
CID 91705221
4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole
CID 177408305
2-(12-cyclopent-2-en-1-yldodecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705170

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole (CID 101336400) is 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(Cc2ccc(CC3=NC(C)(C)CO3)[nH]2)=N1.
What is the InChIKey of 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DZMGJGBLZBBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2)9-20-13(18-15)7-11-5-6-12(17-11)8-14-19-16(3,4)10-21-14/h5-6,17H,7-10H2,1-4H3.
What are the key properties of 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 289.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101336400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).