N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 110856568

IUPACN-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C14H16N2O2/c1-9(2)13-8-12(16-18-13)14(17)15-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,15,17)
InChIKeyOHOHSIIKZXEKCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.36
Rot. Bonds3

About N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 110856568) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID110856568
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C14H16N2O2/c1-9(2)13-8-12(16-18-13)14(17)15-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,15,17)
InChIKeyOHOHSIIKZXEKCJ-UHFFFAOYSA-N
XLogP3.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 110856568) is N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OHOHSIIKZXEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)13-8-12(16-18-13)14(17)15-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,15,17).
What are the key properties of N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110856568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).