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

C20H25FN4O4 — CID 53168460

IUPAC2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1F
InChIInChI=1S/C20H25FN4O4/c1-12-17(19(26)24(2)3)23-18(29-12)13-7-9-25(10-8-13)20(27)22-14-5-6-16(28-4)15(21)11-14/h5-6,11,13H,7-10H2,1-4H3,(H,22,27)
InChIKeyIYALMQVUSKDHFJ-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.24
Rot. Bonds4

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

2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53168460) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53168460
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1F
InChIInChI=1S/C20H25FN4O4/c1-12-17(19(26)24(2)3)23-18(29-12)13-7-9-25(10-8-13)20(27)22-14-5-6-16(28-4)15(21)11-14/h5-6,11,13H,7-10H2,1-4H3,(H,22,27)
InChIKeyIYALMQVUSKDHFJ-UHFFFAOYSA-N
XLogP3.24
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53168460) is 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1F.
What is the InChIKey of 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is IYALMQVUSKDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-12-17(19(26)24(2)3)23-18(29-12)13-7-9-25(10-8-13)20(27)22-14-5-6-16(28-4)15(21)11-14/h5-6,11,13H,7-10H2,1-4H3,(H,22,27).
What are the key properties of 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).