N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide

C26H29F8N5O4 — CID 171790393

IUPACN-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cnoc1C(=O)NC(C(=O)Nc1cc(C(CC(F)(F)F)NC(=O)CCC(F)(F)F)ccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C26H29F8N5O4/c1-2-14-13-36-43-21(14)23(42)39-20(15-3-7-24(27,28)8-4-15)22(41)38-18-11-16(6-10-35-18)17(12-26(32,33)34)37-19(40)5-9-25(29,30)31/h6,10-11,13,15,17,20H,2-5,7-9,12H2,1H3,(H,37,40)(H,39,42)(H,35,38,41)
InChIKeyOYGIQBPCBIBGQW-UHFFFAOYSA-N
MW627.53 g/mol
LogP5.65
Rot. Bonds11

About N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide

N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 171790393) has the molecular formula C26H29F8N5O4 and a molecular weight of 627.53 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide
PubChem CID171790393
Molecular FormulaC26H29F8N5O4
Molecular Weight627.53 g/mol
Exact Mass627.21
IUPAC NameN-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cnoc1C(=O)NC(C(=O)Nc1cc(C(CC(F)(F)F)NC(=O)CCC(F)(F)F)ccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C26H29F8N5O4/c1-2-14-13-36-43-21(14)23(42)39-20(15-3-7-24(27,28)8-4-15)22(41)38-18-11-16(6-10-35-18)17(12-26(32,33)34)37-19(40)5-9-25(29,30)31/h6,10-11,13,15,17,20H,2-5,7-9,12H2,1H3,(H,37,40)(H,39,42)(H,35,38,41)
InChIKeyOYGIQBPCBIBGQW-UHFFFAOYSA-N
XLogP5.65
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.53
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-[[4-[2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 171791048
N-[(1R)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 171790891
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 171790435
N-[(1R)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 171791037
N-[[2-[[(2S)-2-amino-2-(4,4-difluorocyclohexyl)acetyl]amino]-4-pyridinyl]-cyclopropylmethyl]-3,3,3-trifluoropropanamide
CID 171790749
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 171790395
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
tert-butyl N-[4-[(1S)-2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]carbamate
CID 171790633
4-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-1-(5-methyl-2-oxo-1H-imidazol-3-yl)ethyl]-2-pyridinyl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 171790431
N-[(S)-[7-[(R)-cyclobutyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 170032862
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(R)-hydroxy-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 157031935
N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 177253658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide (CID 171790393) is N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide is CCc1cnoc1C(=O)NC(C(=O)Nc1cc(C(CC(F)(F)F)NC(=O)CCC(F)(F)F)ccn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is OYGIQBPCBIBGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F8N5O4/c1-2-14-13-36-43-21(14)23(42)39-20(15-3-7-24(27,28)8-4-15)22(41)38-18-11-16(6-10-35-18)17(12-26(32,33)34)37-19(40)5-9-25(29,30)31/h6,10-11,13,15,17,20H,2-5,7-9,12H2,1H3,(H,37,40)(H,39,42)(H,35,38,41).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide?
N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 627.53 g/mol, XLogP of 5.65, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 171790393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).