2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

C20H19N5O3 — CID 11625034

IUPAC2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2coc(-c3ccc4[nH]nc(N)c4c3)n2)c1
InChIInChI=1S/C20H19N5O3/c1-11(12-4-3-5-14(8-12)27-2)22-19(26)17-10-28-20(23-17)13-6-7-16-15(9-13)18(21)25-24-16/h3-11H,1-2H3,(H,22,26)(H3,21,24,25)/t11-/m1/s1
InChIKeyJFLXWDFUQKBTGL-LLVKDONJSA-N
MW377.40 g/mol
LogP3.30
Rot. Bonds5

About 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 11625034) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID11625034
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2coc(-c3ccc4[nH]nc(N)c4c3)n2)c1
InChIInChI=1S/C20H19N5O3/c1-11(12-4-3-5-14(8-12)27-2)22-19(26)17-10-28-20(23-17)13-6-7-16-15(9-13)18(21)25-24-16/h3-11H,1-2H3,(H,22,26)(H3,21,24,25)/t11-/m1/s1
InChIKeyJFLXWDFUQKBTGL-LLVKDONJSA-N
XLogP3.30
TPSA119.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide
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N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 58319204
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate
CID 69351183
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
2-(3-amino-1H-indazol-6-yl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 69233196

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 11625034) is 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is COc1cccc([C@@H](C)NC(=O)c2coc(-c3ccc4[nH]nc(N)c4c3)n2)c1.
What is the InChIKey of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JFLXWDFUQKBTGL-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-11(12-4-3-5-14(8-12)27-2)22-19(26)17-10-28-20(23-17)13-6-7-16-15(9-13)18(21)25-24-16/h3-11H,1-2H3,(H,22,26)(H3,21,24,25)/t11-/m1/s1.
What are the key properties of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11625034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).