N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H24FN3O3 — CID 60579554

IUPACN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O3/c1-15-21(22(26-30-15)17-5-3-2-4-6-17)23(29)25-14-16-7-8-20(19(24)13-16)27-11-9-18(28)10-12-27/h2-8,13,18,28H,9-12,14H2,1H3,(H,25,29)
InChIKeyLBRGJKYRPNPRBR-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60579554) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60579554
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O3/c1-15-21(22(26-30-15)17-5-3-2-4-6-17)23(29)25-14-16-7-8-20(19(24)13-16)27-11-9-18(28)10-12-27/h2-8,13,18,28H,9-12,14H2,1H3,(H,25,29)
InChIKeyLBRGJKYRPNPRBR-UHFFFAOYSA-N
XLogP3.68
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 60579615
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
CID 60579710
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 138042136
3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75402959
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 60579554) is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LBRGJKYRPNPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-21(22(26-30-15)17-5-3-2-4-6-17)23(29)25-14-16-7-8-20(19(24)13-16)27-11-9-18(28)10-12-27/h2-8,13,18,28H,9-12,14H2,1H3,(H,25,29).
What are the key properties of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60579554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).