N-(2-chloropropyl)-1,3-benzoxazol-2-amine

C10H11ClN2O — CID 65027470

IUPACN-(2-chloropropyl)-1,3-benzoxazol-2-amine
SMILESCC(Cl)CNc1nc2ccccc2o1
InChIInChI=1S/C10H11ClN2O/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyIYVCIWASTHKGRD-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.87
Rot. Bonds3

About N-(2-chloropropyl)-1,3-benzoxazol-2-amine

N-(2-chloropropyl)-1,3-benzoxazol-2-amine (PubChem CID 65027470) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(2-chloropropyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-1,3-benzoxazol-2-amine
PubChem CID65027470
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(2-chloropropyl)-1,3-benzoxazol-2-amine
SMILESCC(Cl)CNc1nc2ccccc2o1
InChIInChI=1S/C10H11ClN2O/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyIYVCIWASTHKGRD-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
CID 51086727
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-chloropropyl)-1,3-benzoxazol-2-amine (CID 65027470) is N-(2-chloropropyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-chloropropyl)-1,3-benzoxazol-2-amine is CC(Cl)CNc1nc2ccccc2o1.
What is the InChIKey of N-(2-chloropropyl)-1,3-benzoxazol-2-amine?
The InChIKey is IYVCIWASTHKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of N-(2-chloropropyl)-1,3-benzoxazol-2-amine?
N-(2-chloropropyl)-1,3-benzoxazol-2-amine has a molecular weight of 210.66 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 65027470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).