3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide

C19H23N3O3 — CID 110304406

IUPAC3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccccc2)C2CC2)no1
InChIInChI=1S/C19H23N3O3/c1-12-10-17(22-25-12)21-19(24)13(2)20-18(23)11-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15-16H,8-9,11H2,1-2H3,(H,20,23)(H,21,22,24)/t13-,16?/m0/s1
InChIKeyGNLNNJLFTJQQIQ-KNVGNIICSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds7

About 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide

3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 110304406) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID110304406
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccccc2)C2CC2)no1
InChIInChI=1S/C19H23N3O3/c1-12-10-17(22-25-12)21-19(24)13(2)20-18(23)11-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15-16H,8-9,11H2,1-2H3,(H,20,23)(H,21,22,24)/t13-,16?/m0/s1
InChIKeyGNLNNJLFTJQQIQ-KNVGNIICSA-N
XLogP3.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110615565
(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
(2S)-2-[(4-methylcyclohexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 35786341
2-[2-[[(R)-cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39594509
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide (CID 110304406) is 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)CC(c2ccccc2)C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is GNLNNJLFTJQQIQ-KNVGNIICSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-10-17(22-25-12)21-19(24)13(2)20-18(23)11-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15-16H,8-9,11H2,1-2H3,(H,20,23)(H,21,22,24)/t13-,16?/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 110304406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).