N-propan-2-yl-1,2-benzoxazol-6-amine

C10H12N2O — CID 146317890

IUPACN-propan-2-yl-1,2-benzoxazol-6-amine
SMILESCC(C)Nc1ccc2cnoc2c1
InChIInChI=1S/C10H12N2O/c1-7(2)12-9-4-3-8-6-11-13-10(8)5-9/h3-7,12H,1-2H3
InChIKeyPUYKIBZVRUSNOT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.65
Rot. Bonds2

About N-propan-2-yl-1,2-benzoxazol-6-amine

N-propan-2-yl-1,2-benzoxazol-6-amine (PubChem CID 146317890) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-propan-2-yl-1,2-benzoxazol-6-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2-benzoxazol-6-amine
PubChem CID146317890
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-propan-2-yl-1,2-benzoxazol-6-amine
SMILESCC(C)Nc1ccc2cnoc2c1
InChIInChI=1S/C10H12N2O/c1-7(2)12-9-4-3-8-6-11-13-10(8)5-9/h3-7,12H,1-2H3
InChIKeyPUYKIBZVRUSNOT-UHFFFAOYSA-N
XLogP2.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2-benzoxazol-6-amine?
The IUPAC name of N-propan-2-yl-1,2-benzoxazol-6-amine (CID 146317890) is N-propan-2-yl-1,2-benzoxazol-6-amine.
What is the SMILES notation for N-propan-2-yl-1,2-benzoxazol-6-amine?
The canonical SMILES for N-propan-2-yl-1,2-benzoxazol-6-amine is CC(C)Nc1ccc2cnoc2c1.
What is the InChIKey of N-propan-2-yl-1,2-benzoxazol-6-amine?
The InChIKey is PUYKIBZVRUSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)12-9-4-3-8-6-11-13-10(8)5-9/h3-7,12H,1-2H3.
What are the key properties of N-propan-2-yl-1,2-benzoxazol-6-amine?
N-propan-2-yl-1,2-benzoxazol-6-amine has a molecular weight of 176.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2-benzoxazol-6-amine is sourced from PubChem (CID 146317890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).