N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide

C13H14N2O3 — CID 1480804

IUPACN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(C)=O)on2)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)14-8-12-7-13(15-18-12)10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyJQPAKEIKNZCSHR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.99
Rot. Bonds4

About N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 1480804) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID1480804
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(C)=O)on2)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)14-8-12-7-13(15-18-12)10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyJQPAKEIKNZCSHR-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 16285974
4-[5-(4-ethoxyphenyl)isoxazol-3-yl]-N-(3-methoxypropyl)butanamide
CID 3242918
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3240709
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242135
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132059961
(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide
CID 132075275

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 1480804) is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(C)=O)on2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is JQPAKEIKNZCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)14-8-12-7-13(15-18-12)10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 1480804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).