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

C28H34N8O3 — CID 144513411

IUPACmethyl 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
SMILESCOC(=O)Nc1cccc(-c2cnc(N[C@@H]3CCCCC3N[C@H]3CCCN(c4ccc5ncnn5c4)C3)o2)c1
InChIInChI=1S/C28H34N8O3/c1-38-28(37)33-20-7-4-6-19(14-20)25-15-29-27(39-25)34-24-10-3-2-9-23(24)32-21-8-5-13-35(16-21)22-11-12-26-30-18-31-36(26)17-22/h4,6-7,11-12,14-15,17-18,21,23-24,32H,2-3,5,8-10,13,16H2,1H3,(H,29,34)(H,33,37)/t21-,23?,24+/m0/s1
InChIKeyRXPZAESOJBQOLT-FYFGAKMPSA-N
MW530.63 g/mol
LogP4.54
Rot. Bonds7

About 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

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 (PubChem CID 144513411) has the molecular formula C28H34N8O3 and a molecular weight of 530.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID144513411
Molecular FormulaC28H34N8O3
Molecular Weight530.63 g/mol
Exact Mass530.28
IUPAC Namemethyl 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
SMILESCOC(=O)Nc1cccc(-c2cnc(N[C@@H]3CCCCC3N[C@H]3CCCN(c4ccc5ncnn5c4)C3)o2)c1
InChIInChI=1S/C28H34N8O3/c1-38-28(37)33-20-7-4-6-19(14-20)25-15-29-27(39-25)34-24-10-3-2-9-23(24)32-21-8-5-13-35(16-21)22-11-12-26-30-18-31-36(26)17-22/h4,6-7,11-12,14-15,17-18,21,23-24,32H,2-3,5,8-10,13,16H2,1H3,(H,29,34)(H,33,37)/t21-,23?,24+/m0/s1
InChIKeyRXPZAESOJBQOLT-FYFGAKMPSA-N
XLogP4.54
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
methyl N-[3-[2-[[(1R,2S)-2-[[(3R)-1-(4-cyanophenyl)piperidin-3-yl]methyl]cyclohexyl]amino]-1,3-oxazol-5-yl]phenyl]carbamate
CID 147355002
3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 78043291
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
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
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
1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-(5-phenyl-1,3-oxazol-2-yl)cyclohexane-1,2-diamine
CID 123347790
2-N-(5-phenyl-1,3-oxazol-2-yl)-1-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 78041519
2-fluoro-4-[3-[[2-[(5-phenyl-1,3-oxazol-2-yl)amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 123986104
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)Nc1cccc(-c2cnc(N[C@@H]3CCCCC3N[C@H]3CCCN(c4ccc5ncnn5c4)C3)o2)c1.
What is the InChIKey of 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?
The InChIKey is RXPZAESOJBQOLT-FYFGAKMPSA-N. The full InChI is InChI=1S/C28H34N8O3/c1-38-28(37)33-20-7-4-6-19(14-20)25-15-29-27(39-25)34-24-10-3-2-9-23(24)32-21-8-5-13-35(16-21)22-11-12-26-30-18-31-36(26)17-22/h4,6-7,11-12,14-15,17-18,21,23-24,32H,2-3,5,8-10,13,16H2,1H3,(H,29,34)(H,33,37)/t21-,23?,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 530.63 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144513411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).