5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide

C18H22N4O3 — CID 124591808

IUPAC5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)no1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)18(24)19-13(2)17(23)20-14-6-5-7-15(11-14)22-8-3-4-9-22/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyNUBBXYMMYZRRTN-CYBMUJFWSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 124591808) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID124591808
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)no1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)18(24)19-13(2)17(23)20-14-6-5-7-15(11-14)22-8-3-4-9-22/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyNUBBXYMMYZRRTN-CYBMUJFWSA-N
XLogP2.34
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
CID 124591805
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
CID 124591800
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 124591808) is 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)no1.
What is the InChIKey of 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NUBBXYMMYZRRTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-10-16(21-25-12)18(24)19-13(2)17(23)20-14-6-5-7-15(11-14)22-8-3-4-9-22/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,19,24)(H,20,23)/t13-/m1/s1.
What are the key properties of 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124591808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).