(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

C19H17NO4 — CID 31702472

IUPAC(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCOc1ccccc1OC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17NO4/c1-13-15(20-19(23-13)14-8-4-3-5-9-14)12-18(21)24-17-11-7-6-10-16(17)22-2/h3-11H,12H2,1-2H3
InChIKeyOVRIUQFRXPXCEU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.81
Rot. Bonds5

About (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 31702472) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID31702472
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCOc1ccccc1OC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17NO4/c1-13-15(20-19(23-13)14-8-4-3-5-9-14)12-18(21)24-17-11-7-6-10-16(17)22-2/h3-11H,12H2,1-2H3
InChIKeyOVRIUQFRXPXCEU-UHFFFAOYSA-N
XLogP3.81
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 16621729
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611791
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
CID 22507119
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-propoxyphenyl)acetamide
CID 16614535
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (CID 31702472) is (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is COc1ccccc1OC(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is OVRIUQFRXPXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-15(20-19(23-13)14-8-4-3-5-9-14)12-18(21)24-17-11-7-6-10-16(17)22-2/h3-11H,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 323.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 31702472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).