2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline

C14H11ClN2O2 — CID 50874432

IUPAC2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1ccc2oc(-c3ccc(N)c(Cl)c3)nc2c1
InChIInChI=1S/C14H11ClN2O2/c1-18-9-3-5-13-12(7-9)17-14(19-13)8-2-4-11(16)10(15)6-8/h2-7H,16H2,1H3
InChIKeyIECPFYPISSAOGD-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline

2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline (PubChem CID 50874432) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
PubChem CID50874432
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1ccc2oc(-c3ccc(N)c(Cl)c3)nc2c1
InChIInChI=1S/C14H11ClN2O2/c1-18-9-3-5-13-12(7-9)17-14(19-13)8-2-4-11(16)10(15)6-8/h2-7H,16H2,1H3
InChIKeyIECPFYPISSAOGD-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'}

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Related Compounds

4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
4-iodo-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696756
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
CID 95910527
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
5-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696750
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 3512132
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline (CID 50874432) is 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline is COc1ccc2oc(-c3ccc(N)c(Cl)c3)nc2c1.
What is the InChIKey of 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline?
The InChIKey is IECPFYPISSAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-9-3-5-13-12(7-9)17-14(19-13)8-2-4-11(16)10(15)6-8/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline?
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline 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 2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 50874432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).