5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C12H14N2O2 — CID 115030618

IUPAC5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(C3CCCCC3)nc2o1
InChIInChI=1S/C12H14N2O2/c15-12-14-10-7-6-9(13-11(10)16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyCKAYRWXFTIJMPX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.56
Rot. Bonds1

About 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 115030618) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID115030618
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(C3CCCCC3)nc2o1
InChIInChI=1S/C12H14N2O2/c15-12-14-10-7-6-9(13-11(10)16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyCKAYRWXFTIJMPX-UHFFFAOYSA-N
XLogP2.56
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174093339
CID 174093339
4,5-dicyclohexyl-3H-1,3-oxazol-2-one
CID 140997731
6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115040087
2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine
CID 176550079
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 138052378
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
5-cyclopentyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 66779498
2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729583
6-(oxan-2-yloxy)-3H-1,3-benzoxazol-2-one
CID 59543394
4-cycloheptyl-3H-1,3-oxazol-2-one
CID 105439472
6-cyclohexyl-2-methylpyridine-3-carboxamide
CID 68934138

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 115030618) is 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1[nH]c2ccc(C3CCCCC3)nc2o1.
What is the InChIKey of 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is CKAYRWXFTIJMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12-14-10-7-6-9(13-11(10)16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 115030618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).