3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine

C15H13FN4O — CID 150892773

IUPAC3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNCc1cc(-c2noc(N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C15H13FN4O/c16-12-2-1-10(7-11(12)8-17)14-13(15(18)21-20-14)9-3-5-19-6-4-9/h1-7H,8,17-18H2
InChIKeyKYIZBUARGLYYGW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.58
Rot. Bonds3

About 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine

3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 150892773) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID150892773
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNCc1cc(-c2noc(N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C15H13FN4O/c16-12-2-1-10(7-11(12)8-17)14-13(15(18)21-20-14)9-3-5-19-6-4-9/h1-7H,8,17-18H2
InChIKeyKYIZBUARGLYYGW-UHFFFAOYSA-N
XLogP2.58
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 150892773) is 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine is NCc1cc(-c2noc(N)c2-c2ccncc2)ccc1F.
What is the InChIKey of 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is KYIZBUARGLYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-12-2-1-10(7-11(12)8-17)14-13(15(18)21-20-14)9-3-5-19-6-4-9/h1-7H,8,17-18H2.
What are the key properties of 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 150892773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).