N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine

C10H11ClN2O — CID 130501912

IUPACN-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine
SMILESCC(CCl)Nc1noc2ccccc12
InChIInChI=1S/C10H11ClN2O/c1-7(6-11)12-10-8-4-2-3-5-9(8)14-13-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyWHGHJVCFGKVGLD-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.87
Rot. Bonds3

About N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine

N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine (PubChem CID 130501912) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine
PubChem CID130501912
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine
SMILESCC(CCl)Nc1noc2ccccc12
InChIInChI=1S/C10H11ClN2O/c1-7(6-11)12-10-8-4-2-3-5-9(8)14-13-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyWHGHJVCFGKVGLD-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

2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
3-(1,2-benzoxazol-3-ylamino)-2-methylsulfanylbutan-1-ol
CID 113464432
1-(1,2-benzoxazol-3-yl)-3-propan-2-ylthiourea
CID 15983877
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide
CID 175392982
N-(2-aminoethoxy)-1,2-benzoxazol-3-amine
CID 18696093
2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide
CID 112738273
5-bromo-N-(1-chloropropan-2-yl)isoquinolin-1-amine
CID 106542700
4-(1,2-benzoxazol-3-ylamino)butanal
CID 18378943
ethyl 2-(1,2-benzoxazol-3-ylcarbamothioylamino)propanoate
CID 15983624
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine (CID 130501912) is N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine is CC(CCl)Nc1noc2ccccc12.
What is the InChIKey of N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine?
The InChIKey is WHGHJVCFGKVGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(6-11)12-10-8-4-2-3-5-9(8)14-13-10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine?
N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-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-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 130501912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).