6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

C18H14N2O3S — CID 84567419

IUPAC6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(Cc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1
InChIInChI=1S/C18H14N2O3S/c1-22-13-5-2-11(3-6-13)8-17-19-15(10-24-17)12-4-7-14-16(9-12)23-18(21)20-14/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyWGSSFDWCVCCKEQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.84
Rot. Bonds4

About 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 84567419) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID84567419
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCOc1ccc(Cc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1
InChIInChI=1S/C18H14N2O3S/c1-22-13-5-2-11(3-6-13)8-17-19-15(10-24-17)12-4-7-14-16(9-12)23-18(21)20-14/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyWGSSFDWCVCCKEQ-UHFFFAOYSA-N
XLogP3.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110351076
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
CID 84567465
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 84561137
N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylpropanamide
CID 110351082
1-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylurea
CID 110351085

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (CID 84567419) is 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is COc1ccc(Cc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1.
What is the InChIKey of 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is WGSSFDWCVCCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-22-13-5-2-11(3-6-13)8-17-19-15(10-24-17)12-4-7-14-16(9-12)23-18(21)20-14/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 338.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 84567419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).