[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol

C9H12N4O2 — CID 106390456

IUPAC[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1cnc(C(C)n2cnnc2CO)o1
InChIInChI=1S/C9H12N4O2/c1-6-3-10-9(15-6)7(2)13-5-11-12-8(13)4-14/h3,5,7,14H,4H2,1-2H3
InChIKeyBXNCCSGLJYNNIS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.68
Rot. Bonds3

About [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol

[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 106390456) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol
PubChem CID106390456
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1cnc(C(C)n2cnnc2CO)o1
InChIInChI=1S/C9H12N4O2/c1-6-3-10-9(15-6)7(2)13-5-11-12-8(13)4-14/h3,5,7,14H,4H2,1-2H3
InChIKeyBXNCCSGLJYNNIS-UHFFFAOYSA-N
XLogP0.68
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 104830695
2-(difluoromethyl)-5-methyl-1,3-oxazole
CID 123421285
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389161
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]formamide
CID 106389909
(1R)-1-(5-methyl-1,3-oxazol-2-yl)propan-1-amine
CID 96637265
5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole
CID 155091988
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 104579640
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 106389458
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204681

Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol (CID 106390456) is [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol is Cc1cnc(C(C)n2cnnc2CO)o1.
What is the InChIKey of [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is BXNCCSGLJYNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-3-10-9(15-6)7(2)13-5-11-12-8(13)4-14/h3,5,7,14H,4H2,1-2H3.
What are the key properties of [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 208.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 106390456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).