5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

C14H18N4O5 — CID 167244133

IUPAC5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N[C@H](C=O)CC2CCNC2=O)no1
InChIInChI=1S/C14H18N4O5/c1-8-4-11(18-23-8)14(22)16-6-12(20)17-10(7-19)5-9-2-3-15-13(9)21/h4,7,9-10H,2-3,5-6H2,1H3,(H,15,21)(H,16,22)(H,17,20)/t9?,10-/m0/s1
InChIKeyRDGRVRVHBVKISI-AXDSSHIGSA-N
MW322.32 g/mol
LogP-1.08
Rot. Bonds7

About 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 167244133) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID167244133
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N[C@H](C=O)CC2CCNC2=O)no1
InChIInChI=1S/C14H18N4O5/c1-8-4-11(18-23-8)14(22)16-6-12(20)17-10(7-19)5-9-2-3-15-13(9)21/h4,7,9-10H,2-3,5-6H2,1H3,(H,15,21)(H,16,22)(H,17,20)/t9?,10-/m0/s1
InChIKeyRDGRVRVHBVKISI-AXDSSHIGSA-N
XLogP-1.08
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 155736240
5-methyl-N-[2-oxo-2-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]ethyl]-1,2-oxazole-3-carboxamide
CID 162739323
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 166691946
4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 167244126
7-bromo-N-[(2S)-3-methyl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]quinoline-2-carboxamide
CID 166691656
1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 145343855
acetaldehyde;N-(3,3-dimethyl-1-oxobutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;ethane;3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one;1-methylpyrrolidine-2-carbaldehyde;propane
CID 176958829
N-[(3S)-3-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]carbamoyl]-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 163948647
2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 172806671
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
CID 155736218
N-[(2S)-1-[[(E,2S)-4-cyano-1-[(3S)-2-oxopiperidin-3-yl]but-3-en-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155557855

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (CID 167244133) is 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N[C@H](C=O)CC2CCNC2=O)no1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RDGRVRVHBVKISI-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-8-4-11(18-23-8)14(22)16-6-12(20)17-10(7-19)5-9-2-3-15-13(9)21/h4,7,9-10H,2-3,5-6H2,1H3,(H,15,21)(H,16,22)(H,17,20)/t9?,10-/m0/s1.
What are the key properties of 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167244133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).