2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide

C16H17N5O2 — CID 126824059

IUPAC2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccccc2)c2ncn[nH]2)c(C)o1
InChIInChI=1S/C16H17N5O2/c1-10-14(20-11(2)23-10)16(22)17-8-13(15-18-9-19-21-15)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyXKTWYYRGTXEQIQ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.97
Rot. Bonds5

About 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 126824059) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID126824059
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccccc2)c2ncn[nH]2)c(C)o1
InChIInChI=1S/C16H17N5O2/c1-10-14(20-11(2)23-10)16(22)17-8-13(15-18-9-19-21-15)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyXKTWYYRGTXEQIQ-UHFFFAOYSA-N
XLogP1.97
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 94888605
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430
1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 166372399
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209532
2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167990
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 126824059) is 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC(c2ccccc2)c2ncn[nH]2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XKTWYYRGTXEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-14(20-11(2)23-10)16(22)17-8-13(15-18-9-19-21-15)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126824059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).