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

C14H11ClN2O2 — CID 114765012

IUPAC4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1cccc2oc(-c3cc(Cl)ccc3N)nc12
InChIInChI=1S/C14H11ClN2O2/c1-18-11-3-2-4-12-13(11)17-14(19-12)9-7-8(15)5-6-10(9)16/h2-7H,16H2,1H3
InChIKeyKILFFJYJOCOIPP-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.74
Rot. Bonds2

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

4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline (PubChem CID 114765012) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
PubChem CID114765012
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1cccc2oc(-c3cc(Cl)ccc3N)nc12
InChIInChI=1S/C14H11ClN2O2/c1-18-11-3-2-4-12-13(11)17-14(19-12)9-7-8(15)5-6-10(9)16/h2-7H,16H2,1H3
InChIKeyKILFFJYJOCOIPP-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

2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
2-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114764858
2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
CID 81284777
4-chloro-2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
CID 82473101
2-(5-chloro-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 82890846
4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline
CID 154720399
2-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]aniline
CID 146670605
2-aminocyclopropan-1-one;2-(1,3-benzoxazol-2-yl)-4-chloroaniline
CID 174633533
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
[2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] 2,4-dichlorobenzenesulfonate
CID 71957086
2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
CID 19876178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline (CID 114765012) is 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline is COc1cccc2oc(-c3cc(Cl)ccc3N)nc12.
What is the InChIKey of 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The InChIKey is KILFFJYJOCOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-11-3-2-4-12-13(11)17-14(19-12)9-7-8(15)5-6-10(9)16/h2-7H,16H2,1H3.
What are the key properties of 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
4-chloro-2-(4-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 4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 114765012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).