3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide

C36H28N8O4 — CID 159866930

IUPAC3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cn3cc4ccccc4n3)cc2)no1.NC(=O)c1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1
InChIInChI=1S/2C18H14N4O2/c19-18(23)17-9-15(21-24-17)13-7-5-12(6-8-13)11-22-16-4-2-1-3-14(16)10-20-22;19-18(23)17-9-16(21-24-17)13-7-5-12(6-8-13)10-22-11-14-3-1-2-4-15(14)20-22/h1-10H,11H2,(H2,19,23);1-9,11H,10H2,(H2,19,23)
InChIKeyNRVQPWJNIPQXJG-UHFFFAOYSA-N
MW636.67 g/mol
LogP5.68
Rot. Bonds8

About 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide

3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 159866930) has the molecular formula C36H28N8O4 and a molecular weight of 636.67 g/mol. Its IUPAC name is 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID159866930
Molecular FormulaC36H28N8O4
Molecular Weight636.67 g/mol
Exact Mass636.22
IUPAC Name3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cn3cc4ccccc4n3)cc2)no1.NC(=O)c1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1
InChIInChI=1S/2C18H14N4O2/c19-18(23)17-9-15(21-24-17)13-7-5-12(6-8-13)11-22-16-4-2-1-3-14(16)10-20-22;19-18(23)17-9-16(21-24-17)13-7-5-12(6-8-13)10-22-11-14-3-1-2-4-15(14)20-22/h1-10H,11H2,(H2,19,23);1-9,11H,10H2,(H2,19,23)
InChIKeyNRVQPWJNIPQXJG-UHFFFAOYSA-N
XLogP5.68
TPSA173.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.67
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
CID 69370570
3-[4-(Indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 76281867
3-[4-(Indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 76281868
N-[1-(1,2-benzoxazol-3-ylmethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 117650560
N-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 117650619
[2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
CID 138720897
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone
CID 154679546
(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen
CID 154679689
[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone
CID 155059397
5-[5-[(4S,5R)-4-amino-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one;N-[(2R,3S)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 159762639
2-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 160303014
2-[1-(1,2-benzoxazol-3-ylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 162154735

Frequently Asked Questions

What is the IUPAC name of 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 159866930) is 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is NC(=O)c1cc(-c2ccc(Cn3cc4ccccc4n3)cc2)no1.NC(=O)c1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1.
What is the InChIKey of 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NRVQPWJNIPQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N4O2/c19-18(23)17-9-15(21-24-17)13-7-5-12(6-8-13)11-22-16-4-2-1-3-14(16)10-20-22;19-18(23)17-9-16(21-24-17)13-7-5-12(6-8-13)10-22-11-14-3-1-2-4-15(14)20-22/h1-10H,11H2,(H2,19,23);1-9,11H,10H2,(H2,19,23).
What are the key properties of 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 636.67 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 159866930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).