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

C29H34N6O2 — CID 123347790

IUPAC1-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
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4Nc4ncc(-c5ccccc5)o4)C3)cc2)o1
InChIInChI=1S/C29H34N6O2/c1-20-33-34-28(36-20)22-13-15-24(16-14-22)35-17-7-10-23(19-35)31-25-11-5-6-12-26(25)32-29-30-18-27(37-29)21-8-3-2-4-9-21/h2-4,8-9,13-16,18,23,25-26,31H,5-7,10-12,17,19H2,1H3,(H,30,32)
InChIKeyBMVFOQRCRYZASQ-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.68
Rot. Bonds7

About 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

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 (PubChem CID 123347790) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID123347790
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name1-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
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4Nc4ncc(-c5ccccc5)o4)C3)cc2)o1
InChIInChI=1S/C29H34N6O2/c1-20-33-34-28(36-20)22-13-15-24(16-14-22)35-17-7-10-23(19-35)31-25-11-5-6-12-26(25)32-29-30-18-27(37-29)21-8-3-2-4-9-21/h2-4,8-9,13-16,18,23,25-26,31H,5-7,10-12,17,19H2,1H3,(H,30,32)
InChIKeyBMVFOQRCRYZASQ-UHFFFAOYSA-N
XLogP5.68
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-N-(5-phenyl-1,3-oxazol-2-yl)-1-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 78041519
N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine
CID 123986996
2-fluoro-4-[3-[[2-[(5-phenyl-1,3-oxazol-2-yl)amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 123986104
trans-(1R,2R)-2-N-(4-isoquinolin-4-yl-2-pyridinyl)-1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233313
1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine
CID 78043428
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
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
3-[2-[[2-[[1-(3,4-difluorophenyl)piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 78043291
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
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
2-N-[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]-1-N-[(3S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 140611894
trans-(1R,2R)-2-N-[5-[2-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 89393996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc(-c2ccc(N3CCCC(NC4CCCCC4Nc4ncc(-c5ccccc5)o4)C3)cc2)o1.
What is the InChIKey of 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?
The InChIKey is BMVFOQRCRYZASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-20-33-34-28(36-20)22-13-15-24(16-14-22)35-17-7-10-23(19-35)31-25-11-5-6-12-26(25)32-29-30-18-27(37-29)21-8-3-2-4-9-21/h2-4,8-9,13-16,18,23,25-26,31H,5-7,10-12,17,19H2,1H3,(H,30,32).
What are the key properties of 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?
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 has a molecular weight of 498.63 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).