N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide

C21H18N4O3 — CID 162669558

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnoc1)c1ccccc1
InChIInChI=1S/C21H18N4O3/c26-20(14-6-2-1-3-7-14)25-19(21(27)24-16-12-23-28-13-16)10-15-11-22-18-9-5-4-8-17(15)18/h1-9,11-13,19,22H,10H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyJGHVVDLYCZTYNZ-IBGZPJMESA-N
MW374.40 g/mol
LogP3.14
Rot. Bonds6

About N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide

N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 162669558) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID162669558
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnoc1)c1ccccc1
InChIInChI=1S/C21H18N4O3/c26-20(14-6-2-1-3-7-14)25-19(21(27)24-16-12-23-28-13-16)10-15-11-22-18-9-5-4-8-17(15)18/h1-9,11-13,19,22H,10H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyJGHVVDLYCZTYNZ-IBGZPJMESA-N
XLogP3.14
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 2321196
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
3-[[(2S)-1-(4-hydroxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 177375477
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide (CID 162669558) is N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnoc1)c1ccccc1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is JGHVVDLYCZTYNZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20(14-6-2-1-3-7-14)25-19(21(27)24-16-12-23-28-13-16)10-15-11-22-18-9-5-4-8-17(15)18/h1-9,11-13,19,22H,10H2,(H,24,27)(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide?
N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 162669558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).