N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide

C15H23N3O3 — CID 25485689

IUPACN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C15H23N3O3/c1-5-11-13(16-9-21-11)14(20)17-10-6-12(19)18(7-10)8-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyTXKIOGRRFBTIMJ-JTQLQIEISA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds4

About N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 25485689) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID25485689
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C15H23N3O3/c1-5-11-13(16-9-21-11)14(20)17-10-6-12(19)18(7-10)8-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyTXKIOGRRFBTIMJ-JTQLQIEISA-N
XLogP1.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
5-ethyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 95774212
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 45198219
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56906658
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 45196047
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 56895748
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 95717248
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 25485689) is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is TXKIOGRRFBTIMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-11-13(16-9-21-11)14(20)17-10-6-12(19)18(7-10)8-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25485689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).