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

C19H16ClNO3 — CID 16621729

IUPAC(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCc1ccc(Cl)c(OC(=O)Cc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H16ClNO3/c1-12-8-9-15(20)17(10-12)24-18(22)11-16-13(2)23-19(21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyOVVJYWPSAQYXOM-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.76
Rot. Bonds4

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

(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 16621729) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID16621729
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCc1ccc(Cl)c(OC(=O)Cc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H16ClNO3/c1-12-8-9-15(20)17(10-12)24-18(22)11-16-13(2)23-19(21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyOVVJYWPSAQYXOM-UHFFFAOYSA-N
XLogP4.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621749
methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
CID 22507119
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627458
2-[5-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883808
bis(2-chloro-5-methylphenyl) hexanedioate
CID 91704940
(2-chloro-5-methylphenyl) pentanoate
CID 78780315
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51337132

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (CID 16621729) is (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is Cc1ccc(Cl)c(OC(=O)Cc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is OVVJYWPSAQYXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-12-8-9-15(20)17(10-12)24-18(22)11-16-13(2)23-19(21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 341.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 16621729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).