(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

C15H16N6O2 — CID 29115342

IUPAC(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@H](C)n3cncn3)n2)cc1
InChIInChI=1S/C15H16N6O2/c1-10-3-5-12(6-4-10)14-19-13(23-20-14)7-17-15(22)11(2)21-9-16-8-18-21/h3-6,8-9,11H,7H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyHSIJDNQFBBPRDE-NSHDSACASA-N
MW312.33 g/mol
LogP1.51
Rot. Bonds5

About (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 29115342) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID29115342
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@H](C)n3cncn3)n2)cc1
InChIInChI=1S/C15H16N6O2/c1-10-3-5-12(6-4-10)14-19-13(23-20-14)7-17-15(22)11(2)21-9-16-8-18-21/h3-6,8-9,11H,7H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyHSIJDNQFBBPRDE-NSHDSACASA-N
XLogP1.51
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125166639
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
2-(4-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657251
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100649436
(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8874789
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 29115342) is (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(-c2noc(CNC(=O)[C@H](C)n3cncn3)n2)cc1.
What is the InChIKey of (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HSIJDNQFBBPRDE-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-3-5-12(6-4-10)14-19-13(23-20-14)7-17-15(22)11(2)21-9-16-8-18-21/h3-6,8-9,11H,7H2,1-2H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 29115342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).