(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide

C10H13N5O2 — CID 40793194

IUPAC(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCc1cc(NC(=O)C[C@H](C)n2cncn2)no1
InChIInChI=1S/C10H13N5O2/c1-7(15-6-11-5-12-15)3-10(16)13-9-4-8(2)17-14-9/h4-7H,3H2,1-2H3,(H,13,14,16)/t7-/m0/s1
InChIKeyXWHFREHDQPRCDF-ZETCQYMHSA-N
MW235.25 g/mol
LogP1.16
Rot. Bonds4

About (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide

(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 40793194) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID40793194
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCc1cc(NC(=O)C[C@H](C)n2cncn2)no1
InChIInChI=1S/C10H13N5O2/c1-7(15-6-11-5-12-15)3-10(16)13-9-4-8(2)17-14-9/h4-7H,3H2,1-2H3,(H,13,14,16)/t7-/m0/s1
InChIKeyXWHFREHDQPRCDF-ZETCQYMHSA-N
XLogP1.16
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
CID 35399839
N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943467
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95304967
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
N-(3-methylbutyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31334149
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95346785
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 110226023

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide (CID 40793194) is (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide is Cc1cc(NC(=O)C[C@H](C)n2cncn2)no1.
What is the InChIKey of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is XWHFREHDQPRCDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7(15-6-11-5-12-15)3-10(16)13-9-4-8(2)17-14-9/h4-7H,3H2,1-2H3,(H,13,14,16)/t7-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide?
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 235.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 40793194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).