(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

C33H31F4N5O4 — CID 58428792

IUPAC(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESO=C(Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3F)C2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H31F4N5O4/c34-25-8-4-5-9-26(25)39-31(44)42-17-14-24(20-42)45-28-11-10-21(19-38-28)18-27(43)29-30(33(35,36)37)40-32(46-29)41-15-12-23(13-16-41)22-6-2-1-3-7-22/h1-11,19,23-24H,12-18,20H2,(H,39,44)/t24-/m0/s1
InChIKeyQBYWUMDXAYMEIO-DEOSSOPVSA-N
MW637.63 g/mol
LogP6.72
Rot. Bonds8

About (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (PubChem CID 58428792) has the molecular formula C33H31F4N5O4 and a molecular weight of 637.63 g/mol. Its IUPAC name is (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
PubChem CID58428792
Molecular FormulaC33H31F4N5O4
Molecular Weight637.63 g/mol
Exact Mass637.23
IUPAC Name(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESO=C(Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3F)C2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H31F4N5O4/c34-25-8-4-5-9-26(25)39-31(44)42-17-14-24(20-42)45-28-11-10-21(19-38-28)18-27(43)29-30(33(35,36)37)40-32(46-29)41-15-12-23(13-16-41)22-6-2-1-3-7-22/h1-11,19,23-24H,12-18,20H2,(H,39,44)/t24-/m0/s1
InChIKeyQBYWUMDXAYMEIO-DEOSSOPVSA-N
XLogP6.72
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
N-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
4-methyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
CID 91668759
2-(4-Fluorophenyl)-4-propyl-oxazole-5-carboxylic acid [1-methyl-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amide
CID 46231661
N-[5-(4-fluorophenyl)-6-(furan-2-yl)pyrazin-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 172433441
3-[5-(1,3-Benzoxazol-2-yl)-6-morpholin-4-yl-3-pyridinyl]aniline
CID 177653708
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 9933040

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (CID 58428792) is (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is O=C(Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3F)C2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The InChIKey is QBYWUMDXAYMEIO-DEOSSOPVSA-N. The full InChI is InChI=1S/C33H31F4N5O4/c34-25-8-4-5-9-26(25)39-31(44)42-17-14-24(20-42)45-28-11-10-21(19-38-28)18-27(43)29-30(33(35,36)37)40-32(46-29)41-15-12-23(13-16-41)22-6-2-1-3-7-22/h1-11,19,23-24H,12-18,20H2,(H,39,44)/t24-/m0/s1.
What are the key properties of (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
(3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide has a molecular weight of 637.63 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluorophenyl)-3-[[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58428792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).