N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine

C10H16N2O — CID 118564555

IUPACN-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
SMILESCC(C)Nc1noc2c1CCCC2
InChIInChI=1S/C10H16N2O/c1-7(2)11-10-8-5-3-4-6-9(8)13-12-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyQMRNBNGUPHREFB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.37
Rot. Bonds2

About N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine

N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine (PubChem CID 118564555) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
PubChem CID118564555
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
SMILESCC(C)Nc1noc2c1CCCC2
InChIInChI=1S/C10H16N2O/c1-7(2)11-10-8-5-3-4-6-9(8)13-12-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyQMRNBNGUPHREFB-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.37
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-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The IUPAC name of N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine (CID 118564555) is N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The canonical SMILES for N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine is CC(C)Nc1noc2c1CCCC2.
What is the InChIKey of N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The InChIKey is QMRNBNGUPHREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)11-10-8-5-3-4-6-9(8)13-12-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 2.37, 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-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 118564555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).