4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine

C15H15N3O — CID 70126180

IUPAC4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCC1(c2cccc(-c3cccnc3)c2)COC(N)=N1
InChIInChI=1S/C15H15N3O/c1-15(10-19-14(16)18-15)13-6-2-4-11(8-13)12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H2,16,18)
InChIKeyPBLKBTNNKUTRLM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.31
Rot. Bonds2

About 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine

4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 70126180) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID70126180
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCC1(c2cccc(-c3cccnc3)c2)COC(N)=N1
InChIInChI=1S/C15H15N3O/c1-15(10-19-14(16)18-15)13-6-2-4-11(8-13)12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H2,16,18)
InChIKeyPBLKBTNNKUTRLM-UHFFFAOYSA-N
XLogP2.31
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
CID 70326750
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 59272337
(4S)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466160
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11654224
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
3-[4-(1-methylcyclopropyl)phenyl]pyridine
CID 90269531
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11668120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine (CID 70126180) is 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine is CC1(c2cccc(-c3cccnc3)c2)COC(N)=N1.
What is the InChIKey of 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is PBLKBTNNKUTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-15(10-19-14(16)18-15)13-6-2-4-11(8-13)12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H2,16,18).
What are the key properties of 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine?
4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 70126180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).