2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C14H21N5O2 — CID 125438480

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](c1ncnn1C)C(C)C
InChIInChI=1S/C14H21N5O2/c1-8(2)13(14-15-7-16-19(14)5)17-12(20)6-11-9(3)18-21-10(11)4/h7-8,13H,6H2,1-5H3,(H,17,20)/t13-/m0/s1
InChIKeyNTTDYRRSWTVQLQ-ZDUSSCGKSA-N
MW291.36 g/mol
LogP1.48
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 125438480) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID125438480
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](c1ncnn1C)C(C)C
InChIInChI=1S/C14H21N5O2/c1-8(2)13(14-15-7-16-19(14)5)17-12(20)6-11-9(3)18-21-10(11)4/h7-8,13H,6H2,1-5H3,(H,17,20)/t13-/m0/s1
InChIKeyNTTDYRRSWTVQLQ-ZDUSSCGKSA-N
XLogP1.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774
2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125172462
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157750
N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 55717037
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39271926
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 61145159
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079008
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 125438480) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is Cc1noc(C)c1CC(=O)N[C@H](c1ncnn1C)C(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is NTTDYRRSWTVQLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8(2)13(14-15-7-16-19(14)5)17-12(20)6-11-9(3)18-21-10(11)4/h7-8,13H,6H2,1-5H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 291.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 125438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).