1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol

C13H14N2O2 — CID 166761070

IUPAC1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C13H14N2O2/c1-8(16)13-7-12(15-17-13)10-4-5-14-11(6-10)9-2-3-9/h4-9,16H,2-3H2,1H3
InChIKeyWBMLRXHGQLDQIY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.67
Rot. Bonds3

About 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol

1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166761070) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166761070
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C13H14N2O2/c1-8(16)13-7-12(15-17-13)10-4-5-14-11(6-10)9-2-3-9/h4-9,16H,2-3H2,1H3
InChIKeyWBMLRXHGQLDQIY-UHFFFAOYSA-N
XLogP2.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxfbd04
CID 145925690
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(pyridin-4-yl)methyl]phenol
CID 145962799
(3-(Pyridin-2-yl)isoxazol-5-yl)methanol
CID 686542
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
Methyl 3-(pyridin-3-yl)-1,2-oxazole-5-carboxylate
CID 776550
5-Methyl-3-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 3146138
Ethyl 3-(pyridin-3-yl)-1,2-oxazole-5-carboxylate
CID 776521
1-(3-(Pyridin-3-yl)-1,2-oxazol-5-yl)ethan-1-one
CID 22831981
3-(4-Pyridinyl)-5-isoxazolecarboxylic acid
CID 28948669
3-(3-Pyridinyl)-5-isoxazolecarboxylic acid
CID 29078582
(3S*,4S*)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70747430

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol (CID 166761070) is 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is WBMLRXHGQLDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(16)13-7-12(15-17-13)10-4-5-14-11(6-10)9-2-3-9/h4-9,16H,2-3H2,1H3.
What are the key properties of 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 230.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166761070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).