4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline

C16H15N3O — CID 43704774

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCc3cccnc3)cc2)co1
InChIInChI=1S/C16H15N3O/c1-12-19-16(11-20-12)14-4-6-15(7-5-14)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3
InChIKeyDYAWJXLBHGNYRM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.66
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline

4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43704774) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID43704774
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCc3cccnc3)cc2)co1
InChIInChI=1S/C16H15N3O/c1-12-19-16(11-20-12)14-4-6-15(7-5-14)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3
InChIKeyDYAWJXLBHGNYRM-UHFFFAOYSA-N
XLogP3.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-pyridin-3-yl-1,3-oxazole
CID 19018561
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43704898
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886
4-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 26779255
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 42691281
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline (CID 43704774) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline is Cc1nc(-c2ccc(NCc3cccnc3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is DYAWJXLBHGNYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-19-16(11-20-12)14-4-6-15(7-5-14)18-10-13-3-2-8-17-9-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 265.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43704774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).