(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine

C9H9N3O — CID 69319885

IUPAC(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1nc(-c2ccncc2)co1
InChIInChI=1S/C9H9N3O/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5,10H2
InChIKeyATCDGWXGLPGOPB-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.20
Rot. Bonds2

About (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine

(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 69319885) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine
PubChem CID69319885
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1nc(-c2ccncc2)co1
InChIInChI=1S/C9H9N3O/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5,10H2
InChIKeyATCDGWXGLPGOPB-UHFFFAOYSA-N
XLogP1.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine (CID 69319885) is (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine is NCc1nc(-c2ccncc2)co1.
What is the InChIKey of (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is ATCDGWXGLPGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5,10H2.
What are the key properties of (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine?
(4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 175.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 69319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).