1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine

C21H18N4O2 — CID 42097383

IUPAC1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1nc2ccccc2o1)Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C21H18N4O2/c1-25(13-20-23-16-7-3-5-9-18(16)27-20)12-15-11-22-24-21(15)19-10-14-6-2-4-8-17(14)26-19/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyCNYFUZCNSWNJNT-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.60
Rot. Bonds5

About 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine

1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine (PubChem CID 42097383) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine
PubChem CID42097383
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1nc2ccccc2o1)Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C21H18N4O2/c1-25(13-20-23-16-7-3-5-9-18(16)27-20)12-15-11-22-24-21(15)19-10-14-6-2-4-8-17(14)26-19/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyCNYFUZCNSWNJNT-UHFFFAOYSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine with MolForge

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Related Compounds

3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-(1H-Pyrazol-3-yl)benzoxazole
CID 25104005
N-[3-methoxy-4-(5-oxazolyl)phenyl]-1H-indazole-3-carboxamide
CID 44329815
2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)benzo[d]oxazole
CID 44563185
1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 56941774
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,3-oxazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366024
2-Indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802787
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6901353
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6905845
N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide
CID 9689230

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine (CID 42097383) is 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine is CN(Cc1nc2ccccc2o1)Cc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is CNYFUZCNSWNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25(13-20-23-16-7-3-5-9-18(16)27-20)12-15-11-22-24-21(15)19-10-14-6-2-4-8-17(14)26-19/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine?
1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 358.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 42097383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).