N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

C13H14N2O3 — CID 110693809

IUPACN-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccon1
InChIInChI=1S/C13H14N2O3/c1-9(2)18-12-6-4-3-5-10(12)14-13(16)11-7-8-17-15-11/h3-9H,1-2H3,(H,14,16)
InChIKeyQQWMUNAEOLNILY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.71
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 110693809) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID110693809
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccon1
InChIInChI=1S/C13H14N2O3/c1-9(2)18-12-6-4-3-5-10(12)14-13(16)11-7-8-17-15-11/h3-9H,1-2H3,(H,14,16)
InChIKeyQQWMUNAEOLNILY-UHFFFAOYSA-N
XLogP2.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110860342
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (CID 110693809) is N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccon1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QQWMUNAEOLNILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(2)18-12-6-4-3-5-10(12)14-13(16)11-7-8-17-15-11/h3-9H,1-2H3,(H,14,16).
What are the key properties of N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110693809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).