[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C18H17ClN2O2 — CID 59675028

IUPAC[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCC(C)c1noc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)16-15(17(22)13-4-3-9-20-10-13)18(23-21-16)12-5-7-14(19)8-6-12/h3-11,17,22H,1-2H3
InChIKeyABVXDVBQHGTYPP-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.60
Rot. Bonds4

About [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59675028) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59675028
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCC(C)c1noc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)16-15(17(22)13-4-3-9-20-10-13)18(23-21-16)12-5-7-14(19)8-6-12/h3-11,17,22H,1-2H3
InChIKeyABVXDVBQHGTYPP-UHFFFAOYSA-N
XLogP4.60
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 142794262
[4-(4-chlorophenyl)-1-methyl-2-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463428
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
pyridin-3-yl-[3-[4-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 87814556
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59675028) is [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is CC(C)c1noc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1.
What is the InChIKey of [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ABVXDVBQHGTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(2)16-15(17(22)13-4-3-9-20-10-13)18(23-21-16)12-5-7-14(19)8-6-12/h3-11,17,22H,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 328.80 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59675028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).