N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide

C19H21N3O3 — CID 72863523

IUPACN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)c2cnoc2-c2ccccc2)[C@@H](C2CC2)C1
InChIInChI=1S/C19H21N3O3/c1-12(23)22-10-16(13-7-8-13)17(11-22)21-19(24)15-9-20-25-18(15)14-5-3-2-4-6-14/h2-6,9,13,16-17H,7-8,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyLXZRTNYLGWBQTE-SJORKVTESA-N
MW339.39 g/mol
LogP2.33
Rot. Bonds4

About N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide

N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 72863523) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID72863523
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)N1C[C@H](NC(=O)c2cnoc2-c2ccccc2)[C@@H](C2CC2)C1
InChIInChI=1S/C19H21N3O3/c1-12(23)22-10-16(13-7-8-13)17(11-22)21-19(24)15-9-20-25-18(15)14-5-3-2-4-6-14/h2-6,9,13,16-17H,7-8,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyLXZRTNYLGWBQTE-SJORKVTESA-N
XLogP2.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 133120307
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide
CID 72904865
(3R,4S)-3-cyclopropyl-N,N-dimethyl-4-[(2-methylsulfanylbenzoyl)amino]pyrrolidine-1-carboxamide
CID 133123754
N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 167851749
5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
CID 126450711
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 131933853
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 110409938
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
2-oxo-N-[2-(5-phenyl-1,2-oxazole-4-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-1H-quinoline-5-carboxamide
CID 167777959
N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 97271529

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide (CID 72863523) is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide is CC(=O)N1C[C@H](NC(=O)c2cnoc2-c2ccccc2)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LXZRTNYLGWBQTE-SJORKVTESA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)22-10-16(13-7-8-13)17(11-22)21-19(24)15-9-20-25-18(15)14-5-3-2-4-6-14/h2-6,9,13,16-17H,7-8,10-11H2,1H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 72863523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).