4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline

C14H11ClN2O2 — CID 107209324

IUPAC4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C14H11ClN2O2/c1-18-12-7-8(16)5-6-9(12)14-17-11-4-2-3-10(15)13(11)19-14/h2-7H,16H2,1H3
InChIKeyDJRBOGYPXMKOLZ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.74
Rot. Bonds2

About 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline

4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline (PubChem CID 107209324) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
PubChem CID107209324
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc2cccc(Cl)c2o1
InChIInChI=1S/C14H11ClN2O2/c1-18-12-7-8(16)5-6-9(12)14-17-11-4-2-3-10(15)13(11)19-14/h2-7H,16H2,1H3
InChIKeyDJRBOGYPXMKOLZ-UHFFFAOYSA-N
XLogP3.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
CID 81434012
3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
CID 81434294
4-acridin-9-yl-3-methoxyaniline
CID 21106052
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-(4-bromo-2-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 115370381
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 81433835
2-(7-chloro-1,3-benzoxazol-2-yl)-N-methylaniline
CID 81433113
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
3-bromo-4-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 95910795
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline?
The IUPAC name of 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline (CID 107209324) is 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline?
The canonical SMILES for 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline is COc1cc(N)ccc1-c1nc2cccc(Cl)c2o1.
What is the InChIKey of 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline?
The InChIKey is DJRBOGYPXMKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-12-7-8(16)5-6-9(12)14-17-11-4-2-3-10(15)13(11)19-14/h2-7H,16H2,1H3.
What are the key properties of 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline?
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline has a molecular weight of 274.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline is sourced from PubChem (CID 107209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).