2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole

C14H10ClNO — CID 4154393

IUPAC2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C14H10ClNO/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,1H3
InChIKeyRDBAHYHARLPLHU-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.46
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole

2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole (PubChem CID 4154393) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
PubChem CID4154393
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C14H10ClNO/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,1H3
InChIKeyRDBAHYHARLPLHU-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
3-(4-chlorophenyl)-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine
CID 2848418
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole (CID 4154393) is 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole is Cc1ccc2nc(-c3ccc(Cl)cc3)oc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole?
The InChIKey is RDBAHYHARLPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole?
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole has a molecular weight of 243.69 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 4154393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).