[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol

C15H17NO2 — CID 102543893

IUPAC[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
SMILESCc1ccc(-c2cc(C3(CO)CC3)no2)cc1C
InChIInChI=1S/C15H17NO2/c1-10-3-4-12(7-11(10)2)13-8-14(16-18-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyNQFZHFKHXGVREW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.98
Rot. Bonds3

About [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol

[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol (PubChem CID 102543893) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
PubChem CID102543893
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
SMILESCc1ccc(-c2cc(C3(CO)CC3)no2)cc1C
InChIInChI=1S/C15H17NO2/c1-10-3-4-12(7-11(10)2)13-8-14(16-18-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyNQFZHFKHXGVREW-UHFFFAOYSA-N
XLogP2.98
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol (CID 102543893) is [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol is Cc1ccc(-c2cc(C3(CO)CC3)no2)cc1C.
What is the InChIKey of [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The InChIKey is NQFZHFKHXGVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-3-4-12(7-11(10)2)13-8-14(16-18-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3.
What are the key properties of [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 102543893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).