[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C10H12N2O2 — CID 104823800

IUPAC[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(C2=NOC(CO)C2)cn1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(5-11-7)10-4-9(6-13)14-12-10/h2-3,5,9,13H,4,6H2,1H3
InChIKeyAQHJZEJVEAIQBI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.88
Rot. Bonds2

About [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 104823800) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID104823800
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(C2=NOC(CO)C2)cn1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(5-11-7)10-4-9(6-13)14-12-10/h2-3,5,9,13H,4,6H2,1H3
InChIKeyAQHJZEJVEAIQBI-UHFFFAOYSA-N
XLogP0.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 104823799
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 22022982
[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145467792
[(5R)-3-(4-bromo-3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 124581701
[4-[3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-3-methylsulfanylbut-1-en-2-yl]cyanamide
CID 134591203
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348459
3-(4-bromo-3-methylphenyl)-5-(chloromethyl)-4,5-dihydro-1,2-oxazole
CID 66481694
[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145468052
N-methyl-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 42789312
3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 23542518

Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 104823800) is [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is Cc1ccc(C2=NOC(CO)C2)cn1.
What is the InChIKey of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is AQHJZEJVEAIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8(5-11-7)10-4-9(6-13)14-12-10/h2-3,5,9,13H,4,6H2,1H3.
What are the key properties of [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 104823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).