N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C25H29F6N5O4 — CID 166470990

IUPACN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(F)(F)CC2)c(F)cc1C(C)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C25H29F6N5O4/c1-12-9-18(17(26)10-16(12)13(2)23(39)36(4)11-25(29,30)31)32-22(38)20(15-5-7-24(27,28)8-6-15)33-21(37)19-14(3)34-40-35-19/h9-10,13,15,20H,5-8,11H2,1-4H3,(H,32,38)(H,33,37)/t13?,20-/m0/s1
InChIKeyWLKPCGISKPSATQ-JDOQCHFPSA-N
MW577.53 g/mol
LogP4.51
Rot. Bonds8

About N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166470990) has the molecular formula C25H29F6N5O4 and a molecular weight of 577.53 g/mol. Its IUPAC name is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID166470990
Molecular FormulaC25H29F6N5O4
Molecular Weight577.53 g/mol
Exact Mass577.21
IUPAC NameN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(F)(F)CC2)c(F)cc1C(C)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C25H29F6N5O4/c1-12-9-18(17(26)10-16(12)13(2)23(39)36(4)11-25(29,30)31)32-22(38)20(15-5-7-24(27,28)8-6-15)33-21(37)19-14(3)34-40-35-19/h9-10,13,15,20H,5-8,11H2,1-4H3,(H,32,38)(H,33,37)/t13?,20-/m0/s1
InChIKeyWLKPCGISKPSATQ-JDOQCHFPSA-N
XLogP4.51
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166470990) is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(F)(F)CC2)c(F)cc1C(C)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WLKPCGISKPSATQ-JDOQCHFPSA-N. The full InChI is InChI=1S/C25H29F6N5O4/c1-12-9-18(17(26)10-16(12)13(2)23(39)36(4)11-25(29,30)31)32-22(38)20(15-5-7-24(27,28)8-6-15)33-21(37)19-14(3)34-40-35-19/h9-10,13,15,20H,5-8,11H2,1-4H3,(H,32,38)(H,33,37)/t13?,20-/m0/s1.
What are the key properties of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 577.53 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[2-fluoro-5-methyl-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166470990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).