5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one

C21H24N2O4 — CID 44552671

IUPAC5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one
SMILESCC(C)Oc1cccc(C(C)(C)COc2ccc(-c3cc(=O)[nH]o3)cn2)c1
InChIInChI=1S/C21H24N2O4/c1-14(2)26-17-7-5-6-16(10-17)21(3,4)13-25-20-9-8-15(12-22-20)18-11-19(24)23-27-18/h5-12,14H,13H2,1-4H3,(H,23,24)
InChIKeyDEOCBLWMVRGBRJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.17
Rot. Bonds7

About 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one

5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one (PubChem CID 44552671) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one
PubChem CID44552671
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one
SMILESCC(C)Oc1cccc(C(C)(C)COc2ccc(-c3cc(=O)[nH]o3)cn2)c1
InChIInChI=1S/C21H24N2O4/c1-14(2)26-17-7-5-6-16(10-17)21(3,4)13-25-20-9-8-15(12-22-20)18-11-19(24)23-27-18/h5-12,14H,13H2,1-4H3,(H,23,24)
InChIKeyDEOCBLWMVRGBRJ-UHFFFAOYSA-N
XLogP4.17
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

[4-(3-Methoxy-phenyl)-butyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10935482
Rac-3-((3-ethylphenoxy)(piperidin-4-yl)methyl)pyridine
CID 45270563
1-(4-Propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol
CID 56669313
5-[[4-[2-(Cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
CID 121447020
5-[[4-(2-Cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
CID 121447072
5-[2-[4-(2-Cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
CID 121447078
5-[[2,6-Difluoro-4-(2-propoxy-3-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one
CID 121447170
5-[[4-(2-Cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
CID 121447173
5-[[2,6-Difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one
CID 121447341
5-[2-[4-(2-Cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]propyl]-1,2-oxazol-3-one
CID 132051674
5-[2-[4-(2-Cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]ethyl]-1,2-oxazol-3-one
CID 132051680
(E)-N-hydroxy-3-(4-(pyridin-3-ylmethoxy)phenyl)acrylamide (4e)
CID 129010544

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one (CID 44552671) is 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one is CC(C)Oc1cccc(C(C)(C)COc2ccc(-c3cc(=O)[nH]o3)cn2)c1.
What is the InChIKey of 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one?
The InChIKey is DEOCBLWMVRGBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)26-17-7-5-6-16(10-17)21(3,4)13-25-20-9-8-15(12-22-20)18-11-19(24)23-27-18/h5-12,14H,13H2,1-4H3,(H,23,24).
What are the key properties of 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one?
5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one has a molecular weight of 368.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one is sourced from PubChem (CID 44552671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).