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

C9H9N3O — CID 82125165

IUPAC(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine
SMILESNCc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H9N3O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4,10H2
InChIKeyIADKIPPIIYLQQX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.20
Rot. Bonds2

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

(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine (PubChem CID 82125165) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine
PubChem CID82125165
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine
SMILESNCc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H9N3O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4,10H2
InChIKeyIADKIPPIIYLQQX-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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Related Compounds

4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
CID 115083655
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
CID 11537304
3-(2-pyridin-4-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115084817
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56671971
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
3-(5-methylfuran-3-yl)pyridine
CID 59763290
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79690654

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine (CID 82125165) is (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine is NCc1coc(-c2cccnc2)n1.
What is the InChIKey of (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine?
The InChIKey is IADKIPPIIYLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4,10H2.
What are the key properties of (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine?
(2-pyridin-3-yl-1,3-oxazol-4-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 (2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 82125165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).