6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine

C19H11Cl4N3O — CID 121264312

IUPAC6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESClc1ccc([C@H](Nc2nc3ccc(Cl)cc3o2)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H11Cl4N3O/c20-11-3-1-10(2-4-11)17(18-14(23)7-13(22)9-24-18)26-19-25-15-6-5-12(21)8-16(15)27-19/h1-9,17H,(H,25,26)/t17-/m0/s1
InChIKeyTXWZXPYJUFAJOH-KRWDZBQOSA-N
MW439.13 g/mol
LogP7.04
Rot. Bonds4

About 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine

6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 121264312) has the molecular formula C19H11Cl4N3O and a molecular weight of 439.13 g/mol. Its IUPAC name is 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID121264312
Molecular FormulaC19H11Cl4N3O
Molecular Weight439.13 g/mol
Exact Mass436.97
IUPAC Name6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESClc1ccc([C@H](Nc2nc3ccc(Cl)cc3o2)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H11Cl4N3O/c20-11-3-1-10(2-4-11)17(18-14(23)7-13(22)9-24-18)26-19-25-15-6-5-12(21)8-16(15)27-19/h1-9,17H,(H,25,26)/t17-/m0/s1
InChIKeyTXWZXPYJUFAJOH-KRWDZBQOSA-N
XLogP7.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.13
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine 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

Ontazolast
CID 71458
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11224927
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]propanamide
CID 11431993
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
6-chloro-N-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 46882226
N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 1486667
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345
5,6-difluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
CID 10044577
5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
CID 10067562
N-[2-(3-chlorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10069053
5-chloro-N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
CID 10337844

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine (CID 121264312) is 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine is Clc1ccc([C@H](Nc2nc3ccc(Cl)cc3o2)c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is TXWZXPYJUFAJOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H11Cl4N3O/c20-11-3-1-10(2-4-11)17(18-14(23)7-13(22)9-24-18)26-19-25-15-6-5-12(21)8-16(15)27-19/h1-9,17H,(H,25,26)/t17-/m0/s1.
What are the key properties of 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 439.13 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(S)-(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 121264312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).