3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one

C16H17N3O2 — CID 62208505

IUPAC3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
SMILESCCCNc1ccc(Cn2c(=O)oc3ccccc32)cn1
InChIInChI=1S/C16H17N3O2/c1-2-9-17-15-8-7-12(10-18-15)11-19-13-5-3-4-6-14(13)21-16(19)20/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyWDYJHFLIZXHNFF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.86
Rot. Bonds5

About 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one

3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 62208505) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
PubChem CID62208505
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
SMILESCCCNc1ccc(Cn2c(=O)oc3ccccc32)cn1
InChIInChI=1S/C16H17N3O2/c1-2-9-17-15-8-7-12(10-18-15)11-19-13-5-3-4-6-14(13)21-16(19)20/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyWDYJHFLIZXHNFF-UHFFFAOYSA-N
XLogP2.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one (CID 62208505) is 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one is CCCNc1ccc(Cn2c(=O)oc3ccccc32)cn1.
What is the InChIKey of 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is WDYJHFLIZXHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-9-17-15-8-7-12(10-18-15)11-19-13-5-3-4-6-14(13)21-16(19)20/h3-8,10H,2,9,11H2,1H3,(H,17,18).
What are the key properties of 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one?
3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 62208505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).