3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

C24H25ClN2O3 — CID 21088417

IUPAC3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1oc(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C24H25ClN2O3/c25-19-8-6-18(7-9-19)24-21(10-11-23(29)27-14-12-20(28)13-15-27)30-22(26-24)16-17-4-2-1-3-5-17/h1-9,20,28H,10-16H2
InChIKeySYHFBNOSUBHATB-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.50
Rot. Bonds6

About 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 21088417) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID21088417
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1oc(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C24H25ClN2O3/c25-19-8-6-18(7-9-19)24-21(10-11-23(29)27-14-12-20(28)13-15-27)30-22(26-24)16-17-4-2-1-3-5-17/h1-9,20,28H,10-16H2
InChIKeySYHFBNOSUBHATB-UHFFFAOYSA-N
XLogP4.50
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 21088417) is 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCc1oc(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1.
What is the InChIKey of 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is SYHFBNOSUBHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-19-8-6-18(7-9-19)24-21(10-11-23(29)27-14-12-20(28)13-15-27)30-22(26-24)16-17-4-2-1-3-5-17/h1-9,20,28H,10-16H2.
What are the key properties of 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 424.93 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 21088417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).