3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide

C16H17N5O2 — CID 35371590

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H17N5O2/c1-11-13(12(2)23-20-11)7-8-16(22)19-14-5-3-4-6-15(14)21-10-17-9-18-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)
InChIKeyZTHCNOIJHUHSQC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.44
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 35371590) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID35371590
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H17N5O2/c1-11-13(12(2)23-20-11)7-8-16(22)19-14-5-3-4-6-15(14)21-10-17-9-18-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)
InChIKeyZTHCNOIJHUHSQC-UHFFFAOYSA-N
XLogP2.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
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CID 54867933
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
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2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
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N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 35371590) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is ZTHCNOIJHUHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-13(12(2)23-20-11)7-8-16(22)19-14-5-3-4-6-15(14)21-10-17-9-18-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 311.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 35371590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).