(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone

C15H11NO3S — CID 683815

IUPAC(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone
SMILESCOc1ccc(C(=O)n2c(=S)oc3ccccc32)cc1
InChIInChI=1S/C15H11NO3S/c1-18-11-8-6-10(7-9-11)14(17)16-12-4-2-3-5-13(12)19-15(16)20/h2-9H,1H3
InChIKeyYHNLNJMTMIRUIV-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.66
Rot. Bonds2

About (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone

(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone (PubChem CID 683815) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone
PubChem CID683815
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone
SMILESCOc1ccc(C(=O)n2c(=S)oc3ccccc32)cc1
InChIInChI=1S/C15H11NO3S/c1-18-11-8-6-10(7-9-11)14(17)16-12-4-2-3-5-13(12)19-15(16)20/h2-9H,1H3
InChIKeyYHNLNJMTMIRUIV-UHFFFAOYSA-N
XLogP3.66
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-butoxy-5-[2-butoxy-6-[4-(2-sulfanylidene-1,3-benzoxazole-3-carbonyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone
CID 122212703
3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965381
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)-(4-methylphenyl)methanone
CID 4670762
(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
CID 134133618
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
(4-methoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 678601
4-phenyl-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one
CID 56671908
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
(4-methoxyphenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone
CID 4228084

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone (CID 683815) is (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone is COc1ccc(C(=O)n2c(=S)oc3ccccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone?
The InChIKey is YHNLNJMTMIRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-18-11-8-6-10(7-9-11)14(17)16-12-4-2-3-5-13(12)19-15(16)20/h2-9H,1H3.
What are the key properties of (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone?
(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone is sourced from PubChem (CID 683815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).