[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

C19H16N2O4 — CID 658724

IUPAC[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCOc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O
InChIInChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+
InChIKeyBYASTERBUAMEAY-UDWIEESQSA-N
MW336.35 g/mol
LogP4.03
Rot. Bonds5

About [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (PubChem CID 658724) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
PubChem CID658724
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCOc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O
InChIInChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+
InChIKeyBYASTERBUAMEAY-UDWIEESQSA-N
XLogP4.03
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-phenyl-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-yl] acetate
CID 659050
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
CID 69072680
N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 137249091
(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135751887
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
N-(2-methoxyphenyl)-1-quinolin-2-ylmethanimine
CID 1284720
[4-[[5-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 1381563
(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
CID 172679372

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The IUPAC name of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (CID 658724) is [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.
What is the SMILES notation for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The canonical SMILES for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is COc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O.
What is the InChIKey of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The InChIKey is BYASTERBUAMEAY-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+.
What are the key properties of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate has a molecular weight of 336.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is sourced from PubChem (CID 658724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).