N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H20ClF2N3O4 — CID 24995159

IUPACN-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c(Cl)cc2F)no1
InChIInChI=1S/C23H20ClF2N3O4/c1-13-10-21(28-33-13)22(30)27-20-11-17(18(24)12-19(20)26)23(31)29-8-6-16(7-9-29)32-15-4-2-14(25)3-5-15/h2-5,10-12,16H,6-9H2,1H3,(H,27,30)
InChIKeyKBWJXLCECKCVOC-UHFFFAOYSA-N
MW475.88 g/mol
LogP4.85
Rot. Bonds5

About N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24995159) has the molecular formula C23H20ClF2N3O4 and a molecular weight of 475.88 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID24995159
Molecular FormulaC23H20ClF2N3O4
Molecular Weight475.88 g/mol
Exact Mass475.11
IUPAC NameN-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c(Cl)cc2F)no1
InChIInChI=1S/C23H20ClF2N3O4/c1-13-10-21(28-33-13)22(30)27-20-11-17(18(24)12-19(20)26)23(31)29-8-6-16(7-9-29)32-15-4-2-14(25)3-5-15/h2-5,10-12,16H,6-9H2,1H3,(H,27,30)
InChIKeyKBWJXLCECKCVOC-UHFFFAOYSA-N
XLogP4.85
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 24995159) is N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c(Cl)cc2F)no1.
What is the InChIKey of N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KBWJXLCECKCVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O4/c1-13-10-21(28-33-13)22(30)27-20-11-17(18(24)12-19(20)26)23(31)29-8-6-16(7-9-29)32-15-4-2-14(25)3-5-15/h2-5,10-12,16H,6-9H2,1H3,(H,27,30).
What are the key properties of N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 475.88 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24995159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).