4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide

C23H23F3N4O3 — CID 91668759

IUPAC4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-14(28-22(31)21-15(2)27-13-32-21)16-6-8-17(9-7-16)33-18-10-11-30(12-18)20-5-3-4-19(29-20)23(24,25)26/h3-9,13-14,18H,10-12H2,1-2H3,(H,28,31)/t14-,18?/m0/s1
InChIKeyPVIUFCUTYQCYJR-PIVQAISJSA-N
MW460.46 g/mol
LogP4.55
Rot. Bonds6

About 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 91668759) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
PubChem CID91668759
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-14(28-22(31)21-15(2)27-13-32-21)16-6-8-17(9-7-16)33-18-10-11-30(12-18)20-5-3-4-19(29-20)23(24,25)26/h3-9,13-14,18H,10-12H2,1-2H3,(H,28,31)/t14-,18?/m0/s1
InChIKeyPVIUFCUTYQCYJR-PIVQAISJSA-N
XLogP4.55
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 145975397
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
5-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 90315394
N-[(1S)-1-[4-[(3R)-1-[2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypyridin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668717
N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
CID 91668737
1-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
CID 91668757
N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 91668760
3-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 91668762
2-fluoro-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-4-carboxamide
CID 91668763
N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,2-thiazole-4-carboxamide
CID 91668764
5-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
CID 91668769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide (CID 91668759) is 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is PVIUFCUTYQCYJR-PIVQAISJSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-14(28-22(31)21-15(2)27-13-32-21)16-6-8-17(9-7-16)33-18-10-11-30(12-18)20-5-3-4-19(29-20)23(24,25)26/h3-9,13-14,18H,10-12H2,1-2H3,(H,28,31)/t14-,18?/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91668759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).