[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol

C8H11NO2 — CID 165442391

IUPAC[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(CC2CC2)o1
InChIInChI=1S/C8H11NO2/c10-5-7-4-9-8(11-7)3-6-1-2-6/h4,6,10H,1-3,5H2
InChIKeyBYTHSRWRQDLOAH-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.12
Rot. Bonds3

About [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol

[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol (PubChem CID 165442391) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
PubChem CID165442391
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(CC2CC2)o1
InChIInChI=1S/C8H11NO2/c10-5-7-4-9-8(11-7)3-6-1-2-6/h4,6,10H,1-3,5H2
InChIKeyBYTHSRWRQDLOAH-UHFFFAOYSA-N
XLogP1.12
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
CID 115085348
[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085355
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115085223
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183874
[2-(methoxymethyl)-1,3-oxazol-5-yl]methanol
CID 165441990
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115085402
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
CID 119055129
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol (CID 165442391) is [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol is OCc1cnc(CC2CC2)o1.
What is the InChIKey of [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol?
The InChIKey is BYTHSRWRQDLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-7-4-9-8(11-7)3-6-1-2-6/h4,6,10H,1-3,5H2.
What are the key properties of [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol?
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol has a molecular weight of 153.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 165442391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).