2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C20H25FN4O3 — CID 71837610

IUPAC2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H25FN4O3/c1-12-15(21)6-5-7-16(12)22-20(27)25-10-8-14(9-11-25)18-23-17(13(2)28-18)19(26)24(3)4/h5-7,14H,8-11H2,1-4H3,(H,22,27)
InChIKeyHJXHPEDFUNGGCE-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837610) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837610
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H25FN4O3/c1-12-15(21)6-5-7-16(12)22-20(27)25-10-8-14(9-11-25)18-23-17(13(2)28-18)19(26)24(3)4/h5-7,14H,8-11H2,1-4H3,(H,22,27)
InChIKeyHJXHPEDFUNGGCE-UHFFFAOYSA-N
XLogP3.54
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837610) is 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is HJXHPEDFUNGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-12-15(21)6-5-7-16(12)22-20(27)25-10-8-14(9-11-25)18-23-17(13(2)28-18)19(26)24(3)4/h5-7,14H,8-11H2,1-4H3,(H,22,27).
What are the key properties of 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).