(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate

C15H10ClNO4 — CID 90213632

IUPAC(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCc1ccc(OC(=O)n2c(=O)oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H10ClNO4/c1-9-2-5-11(6-3-9)20-14(18)17-12-8-10(16)4-7-13(12)21-15(17)19/h2-8H,1H3
InChIKeyHUXXQWMKCBFXHT-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.60
Rot. Bonds1

About (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate

(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate (PubChem CID 90213632) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
PubChem CID90213632
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCc1ccc(OC(=O)n2c(=O)oc3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H10ClNO4/c1-9-2-5-11(6-3-9)20-14(18)17-12-8-10(16)4-7-13(12)21-15(17)19/h2-8H,1H3
InChIKeyHUXXQWMKCBFXHT-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The IUPAC name of (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate (CID 90213632) is (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate is Cc1ccc(OC(=O)n2c(=O)oc3ccc(Cl)cc32)cc1.
What is the InChIKey of (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
The InChIKey is HUXXQWMKCBFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-9-2-5-11(6-3-9)20-14(18)17-12-8-10(16)4-7-13(12)21-15(17)19/h2-8H,1H3.
What are the key properties of (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate?
(4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate has a molecular weight of 303.70 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 90213632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).