[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C15H15N3O — CID 18698754

IUPAC[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1CC(c2ccc(-c3ccncc3)cc2)=NO1
InChIInChI=1S/C15H15N3O/c16-10-14-9-15(18-19-14)13-3-1-11(2-4-13)12-5-7-17-8-6-12/h1-8,14H,9-10,16H2
InChIKeySWKKHVVUYJZLLK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.20
Rot. Bonds3

About [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 18698754) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID18698754
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1CC(c2ccc(-c3ccncc3)cc2)=NO1
InChIInChI=1S/C15H15N3O/c16-10-14-9-15(18-19-14)13-3-1-11(2-4-13)12-5-7-17-8-6-12/h1-8,14H,9-10,16H2
InChIKeySWKKHVVUYJZLLK-UHFFFAOYSA-N
XLogP2.20
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 18698754) is [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1CC(c2ccc(-c3ccncc3)cc2)=NO1.
What is the InChIKey of [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is SWKKHVVUYJZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-14-9-15(18-19-14)13-3-1-11(2-4-13)12-5-7-17-8-6-12/h1-8,14H,9-10,16H2.
What are the key properties of [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 18698754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).