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

C14H16N2O3 — CID 110859813

IUPACN-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C14H16N2O3/c1-9(2)13-8-11(16-19-13)14(17)15-10-6-4-5-7-12(10)18-3/h4-9H,1-3H3,(H,15,17)
InChIKeyJSVUBCMUAAQGMQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.06
Rot. Bonds4

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

N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 110859813) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID110859813
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C14H16N2O3/c1-9(2)13-8-11(16-19-13)14(17)15-10-6-4-5-7-12(10)18-3/h4-9H,1-3H3,(H,15,17)
InChIKeyJSVUBCMUAAQGMQ-UHFFFAOYSA-N
XLogP3.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 110859813) is N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccccc1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JSVUBCMUAAQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)13-8-11(16-19-13)14(17)15-10-6-4-5-7-12(10)18-3/h4-9H,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110859813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).