N-propyl-1,3-benzoxazol-2-amine

C10H12N2O — CID 584386

IUPACN-propyl-1,3-benzoxazol-2-amine
SMILESCCCNc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyKRJKEIKSZSQTTG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.65
Rot. Bonds3

About N-propyl-1,3-benzoxazol-2-amine

N-propyl-1,3-benzoxazol-2-amine (PubChem CID 584386) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-propyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-propyl-1,3-benzoxazol-2-amine
PubChem CID584386
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-propyl-1,3-benzoxazol-2-amine
SMILESCCCNc1nc2ccccc2o1
InChIInChI=1S/C10H12N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyKRJKEIKSZSQTTG-UHFFFAOYSA-N
XLogP2.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-propyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-propyl-1,3-benzoxazol-2-amine (CID 584386) is N-propyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-propyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-propyl-1,3-benzoxazol-2-amine is CCCNc1nc2ccccc2o1.
What is the InChIKey of N-propyl-1,3-benzoxazol-2-amine?
The InChIKey is KRJKEIKSZSQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of N-propyl-1,3-benzoxazol-2-amine?
N-propyl-1,3-benzoxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 584386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).