4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole

C10H10N2O — CID 90964677

IUPAC4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole
SMILESCc1cncc(Cc2cocn2)c1
InChIInChI=1S/C10H10N2O/c1-8-2-9(5-11-4-8)3-10-6-13-7-12-10/h2,4-7H,3H2,1H3
InChIKeyBABUQYJTFXDUDW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.97
Rot. Bonds2

About 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole

4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole (PubChem CID 90964677) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole
PubChem CID90964677
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole
SMILESCc1cncc(Cc2cocn2)c1
InChIInChI=1S/C10H10N2O/c1-8-2-9(5-11-4-8)3-10-6-13-7-12-10/h2,4-7H,3H2,1H3
InChIKeyBABUQYJTFXDUDW-UHFFFAOYSA-N
XLogP1.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 102881131
3-(3-bromo-2-methylpropyl)-5-methylpyridine
CID 115375378
5-methyl-3-[(5-methyl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 141299037
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
CID 174996178
CID 174996178
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine
CID 165473180
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole?
The IUPAC name of 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole (CID 90964677) is 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole is Cc1cncc(Cc2cocn2)c1.
What is the InChIKey of 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole?
The InChIKey is BABUQYJTFXDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-2-9(5-11-4-8)3-10-6-13-7-12-10/h2,4-7H,3H2,1H3.
What are the key properties of 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole?
4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole has a molecular weight of 174.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-pyridinyl)methyl]-1,3-oxazole is sourced from PubChem (CID 90964677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).