3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide

C27H31F2N5O2 — CID 78043291

IUPAC3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(NC3CCCCC3NC3CCCN(c4ccc(F)c(F)c4)C3)o2)c1
InChIInChI=1S/C27H31F2N5O2/c28-21-11-10-20(14-22(21)29)34-12-4-7-19(16-34)32-23-8-1-2-9-24(23)33-27-31-15-25(36-27)17-5-3-6-18(13-17)26(30)35/h3,5-6,10-11,13-15,19,23-24,32H,1-2,4,7-9,12,16H2,(H2,30,35)(H,31,33)
InChIKeySZEKXAVSBDBOFM-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.70
Rot. Bonds7

About 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide

3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide (PubChem CID 78043291) has the molecular formula C27H31F2N5O2 and a molecular weight of 495.57 g/mol. Its IUPAC name is 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
PubChem CID78043291
Molecular FormulaC27H31F2N5O2
Molecular Weight495.57 g/mol
Exact Mass495.24
IUPAC Name3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(NC3CCCCC3NC3CCCN(c4ccc(F)c(F)c4)C3)o2)c1
InChIInChI=1S/C27H31F2N5O2/c28-21-11-10-20(14-22(21)29)34-12-4-7-19(16-34)32-23-8-1-2-9-24(23)33-27-31-15-25(36-27)17-5-3-6-18(13-17)26(30)35/h3,5-6,10-11,13-15,19,23-24,32H,1-2,4,7-9,12,16H2,(H2,30,35)(H,31,33)
InChIKeySZEKXAVSBDBOFM-UHFFFAOYSA-N
XLogP4.70
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[[2-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 123181344
2-fluoro-4-[3-[[2-[(5-phenyl-1,3-oxazol-2-yl)amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 123986104
N-propan-2-yl-3-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 71233144
N-cyclopropyl-3-[2-[[2-[[1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 123933591
methyl N-[3-[2-[[(1R,2R)-2-[[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]phenyl]carbamate
CID 71233391
3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 147872636
ethyl N-[3-[2-[[(1R,2R)-2-[[(3S)-1-(4-cyanophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]phenyl]carbamate
CID 71233178
N-methyl-3-[2-[[2-[[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 78043382
3-[2-[[(1R,2S)-2-[[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 162111209
trans-(1R,2R)-2-N-[5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233149
methyl N-[3-[2-[[(1R)-2-[[(3S)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]phenyl]carbamate
CID 144513411
2-N-(5-phenyl-1,3-oxazol-2-yl)-1-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 78041519

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide?
The IUPAC name of 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide (CID 78043291) is 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide is NC(=O)c1cccc(-c2cnc(NC3CCCCC3NC3CCCN(c4ccc(F)c(F)c4)C3)o2)c1.
What is the InChIKey of 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide?
The InChIKey is SZEKXAVSBDBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O2/c28-21-11-10-20(14-22(21)29)34-12-4-7-19(16-34)32-23-8-1-2-9-24(23)33-27-31-15-25(36-27)17-5-3-6-18(13-17)26(30)35/h3,5-6,10-11,13-15,19,23-24,32H,1-2,4,7-9,12,16H2,(H2,30,35)(H,31,33).
What are the key properties of 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide?
3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide has a molecular weight of 495.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 78043291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).