5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide

C17H18N4O3 — CID 131929435

IUPAC5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCC(C)c1noc(C(C)NC(=O)c2cnoc2-c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-10(2)15-20-17(24-21-15)11(3)19-16(22)13-9-18-23-14(13)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,22)
InChIKeyXBFXRSKJBZVXQV-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.34
Rot. Bonds5

About 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide

5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 131929435) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID131929435
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCC(C)c1noc(C(C)NC(=O)c2cnoc2-c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-10(2)15-20-17(24-21-15)11(3)19-16(22)13-9-18-23-14(13)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,22)
InChIKeyXBFXRSKJBZVXQV-UHFFFAOYSA-N
XLogP3.34
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 126447741
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
9H-fluoren-9-ylmethyl N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 134259383
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 110409938

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 131929435) is 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide is CC(C)c1noc(C(C)NC(=O)c2cnoc2-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XBFXRSKJBZVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(2)15-20-17(24-21-15)11(3)19-16(22)13-9-18-23-14(13)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,22).
What are the key properties of 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide?
5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131929435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).