1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine

C12H12Cl2N2O — CID 107676305

IUPAC1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
SMILESNC(Cc1nc2cc(Cl)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C12H12Cl2N2O/c13-7-3-8(14)12-10(4-7)16-11(17-12)5-9(15)6-1-2-6/h3-4,6,9H,1-2,5,15H2
InChIKeyKVDPMIPEMSKUIU-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine

1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 107676305) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
PubChem CID107676305
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
SMILESNC(Cc1nc2cc(Cl)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C12H12Cl2N2O/c13-7-3-8(14)12-10(4-7)16-11(17-12)5-9(15)6-1-2-6/h3-4,6,9H,1-2,5,15H2
InChIKeyKVDPMIPEMSKUIU-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 107676406
5,7-dichloro-2-(4-chlorobutyl)-1,3-benzoxazole
CID 107676446
5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 107676158
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
CID 107676160
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
CID 155295915
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676133
4-(5,7-dichloro-1,3-benzoxazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 107676271
1-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-methylcyclohexan-1-amine
CID 107676093

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine (CID 107676305) is 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine is NC(Cc1nc2cc(Cl)cc(Cl)c2o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is KVDPMIPEMSKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-7-3-8(14)12-10(4-7)16-11(17-12)5-9(15)6-1-2-6/h3-4,6,9H,1-2,5,15H2.
What are the key properties of 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine?
1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 271.15 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 107676305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).