5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

C12H16N4O3 — CID 125165981

IUPAC5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H](C)c1nnc(C(C)C)o1
InChIInChI=1S/C12H16N4O3/c1-6(2)11-15-16-12(19-11)7(3)14-10(17)9-8(4)18-5-13-9/h5-7H,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyLINBGNVOAZCHQO-ZETCQYMHSA-N
MW264.28 g/mol
LogP1.98
Rot. Bonds4

About 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 125165981) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID125165981
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H](C)c1nnc(C(C)C)o1
InChIInChI=1S/C12H16N4O3/c1-6(2)11-15-16-12(19-11)7(3)14-10(17)9-8(4)18-5-13-9/h5-7H,1-4H3,(H,14,17)/t7-/m0/s1
InChIKeyLINBGNVOAZCHQO-ZETCQYMHSA-N
XLogP1.98
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974052
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974804
N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 130621147
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138035612
N-(2-Aminoethyl)-5-methyl-4-oxazolecarboxamide
CID 13800279
5-methyl-N-(4-methylpentyl)-1,3-oxazole-4-carboxamide
CID 118669200
N-butyl-5-methyl-1,3-oxazole-4-carboxamide
CID 130272231
5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane
CID 144998221
(4S,7S,14S,17S)-10,20-dimethyl-4,7,14,17-tetra(propan-2-yl)-9,19-dioxa-3,6,13,16,21,22-hexazatricyclo[16.2.1.18,11]docosa-1(20),8(22),10,18(21)-tetraene-2,5,12,15-tetrone
CID 25208846
N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-isopropyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195225
5-Methyl-2-(propan-2-YL)-N-[2-(pyrrolidin-1-YL)ethyl]-1,3-oxazole-4-carboxamide
CID 53195234

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 125165981) is 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H](C)c1nnc(C(C)C)o1.
What is the InChIKey of 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LINBGNVOAZCHQO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6(2)11-15-16-12(19-11)7(3)14-10(17)9-8(4)18-5-13-9/h5-7H,1-4H3,(H,14,17)/t7-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125165981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).