1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol

C14H15NO2 — CID 117330636

IUPAC1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCc1coc(-c2ccc(CC3(O)CC3)cc2)n1
InChIInChI=1S/C14H15NO2/c1-10-9-17-13(15-10)12-4-2-11(3-5-12)8-14(16)6-7-14/h2-5,9,16H,6-8H2,1H3
InChIKeyNKILTYSBUQINJP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.72
Rot. Bonds3

About 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol

1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117330636) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117330636
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCc1coc(-c2ccc(CC3(O)CC3)cc2)n1
InChIInChI=1S/C14H15NO2/c1-10-9-17-13(15-10)12-4-2-11(3-5-12)8-14(16)6-7-14/h2-5,9,16H,6-8H2,1H3
InChIKeyNKILTYSBUQINJP-UHFFFAOYSA-N
XLogP2.72
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol (CID 117330636) is 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol is Cc1coc(-c2ccc(CC3(O)CC3)cc2)n1.
What is the InChIKey of 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is NKILTYSBUQINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-9-17-13(15-10)12-4-2-11(3-5-12)8-14(16)6-7-14/h2-5,9,16H,6-8H2,1H3.
What are the key properties of 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117330636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).