5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine

C14H8Cl4N2O2 — CID 139785868

IUPAC5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Cl)c(Cl)cc1Nc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C14H8Cl4N2O2/c1-21-12-4-8(17)6(15)2-10(12)19-14-20-11-3-7(16)9(18)5-13(11)22-14/h2-5H,1H3,(H,19,20)
InChIKeyIASHWROTGGHWOO-UHFFFAOYSA-N
MW378.04 g/mol
LogP6.19
Rot. Bonds3

About 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine

5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 139785868) has the molecular formula C14H8Cl4N2O2 and a molecular weight of 378.04 g/mol. Its IUPAC name is 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID139785868
Molecular FormulaC14H8Cl4N2O2
Molecular Weight378.04 g/mol
Exact Mass375.93
IUPAC Name5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Cl)c(Cl)cc1Nc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C14H8Cl4N2O2/c1-21-12-4-8(17)6(15)2-10(12)19-14-20-11-3-7(16)9(18)5-13(11)22-14/h2-5H,1H3,(H,19,20)
InChIKeyIASHWROTGGHWOO-UHFFFAOYSA-N
XLogP6.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.04
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-5-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890652
3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide
CID 134459971
N-(4-chloro-2,5-dimethoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958974
(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 70513213
2-tert-butyl-6-chloro-5-methoxy-1,3-benzoxazole
CID 157153349
(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
CID 82230184
4-chloro-N-(2-methoxy-5-nitrophenyl)-1,3-benzoxazol-2-amine
CID 139785838
N-(4-chloro-2,5-dimethoxyphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966463
ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475760
2-N-(2-chlorophenyl)-1,3-benzoxazole-2,6-diamine
CID 79890014
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966366
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
CID 166475757

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine (CID 139785868) is 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Cl)c(Cl)cc1Nc1nc2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is IASHWROTGGHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N2O2/c1-21-12-4-8(17)6(15)2-10(12)19-14-20-11-3-7(16)9(18)5-13(11)22-14/h2-5H,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine?
5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 378.04 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 139785868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).