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(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide

C22H26F3N5O4 — CID 170731629

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCNC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)NCc2cc(-c3cccc(OC(F)(F)F)c3)no2)C1
InChIInChI=1S/C22H26F3N5O4/c1-26-20(31)30(15-7-8-15)16-5-3-9-29(13-16)21(32)27-12-18-11-19(28-34-18)14-4-2-6-17(10-14)33-22(23,24)25/h2,4,6,10-11,15-16H,3,5,7-9,12-13H2,1H3,(H,26,31)(H,27,32)/t16-/m1/s1
InChIKeyCDFVQGVIMULPLU-MRXNPFEDSA-N
MW481.48 g/mol
LogP3.72
Rot. Bonds6

About (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide

(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 170731629) has the molecular formula C22H26F3N5O4 and a molecular weight of 481.48 g/mol. Its IUPAC name is (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID170731629
Molecular FormulaC22H26F3N5O4
Molecular Weight481.48 g/mol
Exact Mass481.19
IUPAC Name(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCNC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)NCc2cc(-c3cccc(OC(F)(F)F)c3)no2)C1
InChIInChI=1S/C22H26F3N5O4/c1-26-20(31)30(15-7-8-15)16-5-3-9-29(13-16)21(32)27-12-18-11-19(28-34-18)14-4-2-6-17(10-14)33-22(23,24)25/h2,4,6,10-11,15-16H,3,5,7-9,12-13H2,1H3,(H,26,31)(H,27,32)/t16-/m1/s1
InChIKeyCDFVQGVIMULPLU-MRXNPFEDSA-N
XLogP3.72
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide (CID 170731629) is (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide is CNC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)NCc2cc(-c3cccc(OC(F)(F)F)c3)no2)C1.
What is the InChIKey of (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is CDFVQGVIMULPLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26F3N5O4/c1-26-20(31)30(15-7-8-15)16-5-3-9-29(13-16)21(32)27-12-18-11-19(28-34-18)14-4-2-6-17(10-14)33-22(23,24)25/h2,4,6,10-11,15-16H,3,5,7-9,12-13H2,1H3,(H,26,31)(H,27,32)/t16-/m1/s1.
What are the key properties of (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide?
(3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclopropyl(methylcarbamoyl)amino]-N-[[3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 170731629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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