5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 3243647

IUPAC5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)15-14(17)12-8-13(19-16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17)
InChIKeyOTTGQCPZINNXJF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.49
Rot. Bonds4

About 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3243647) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3243647
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)15-14(17)12-8-13(19-16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17)
InChIKeyOTTGQCPZINNXJF-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3243647) is 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OTTGQCPZINNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)15-14(17)12-8-13(19-16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17).
What are the key properties of 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).