5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine

C29H32F2N6O2 — CID 149002563

IUPAC5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine
SMILESCc1nc(-c2ccc(N3CCC[C@H](C[C@@H]4CCCC[C@H]4Nc4ncc(-c5ccc(F)c(F)c5)o4)C3)cn2)no1
InChIInChI=1S/C29H32F2N6O2/c1-18-34-28(36-39-18)26-11-9-22(15-32-26)37-12-4-5-19(17-37)13-20-6-2-3-7-25(20)35-29-33-16-27(38-29)21-8-10-23(30)24(31)14-21/h8-11,14-16,19-20,25H,2-7,12-13,17H2,1H3,(H,33,35)/t19-,20+,25-/m1/s1
InChIKeyPZYBOEDPYFLFMU-OHUGHZGNSA-N
MW534.61 g/mol
LogP6.65
Rot. Bonds7

About 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine

5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine (PubChem CID 149002563) has the molecular formula C29H32F2N6O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine
PubChem CID149002563
Molecular FormulaC29H32F2N6O2
Molecular Weight534.61 g/mol
Exact Mass534.26
IUPAC Name5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine
SMILESCc1nc(-c2ccc(N3CCC[C@H](C[C@@H]4CCCC[C@H]4Nc4ncc(-c5ccc(F)c(F)c5)o4)C3)cn2)no1
InChIInChI=1S/C29H32F2N6O2/c1-18-34-28(36-39-18)26-11-9-22(15-32-26)37-12-4-5-19(17-37)13-20-6-2-3-7-25(20)35-29-33-16-27(38-29)21-8-10-23(30)24(31)14-21/h8-11,14-16,19-20,25H,2-7,12-13,17H2,1H3,(H,33,35)/t19-,20+,25-/m1/s1
InChIKeyPZYBOEDPYFLFMU-OHUGHZGNSA-N
XLogP6.65
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine 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 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine (CID 149002563) is 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine is Cc1nc(-c2ccc(N3CCC[C@H](C[C@@H]4CCCC[C@H]4Nc4ncc(-c5ccc(F)c(F)c5)o4)C3)cn2)no1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine?
The InChIKey is PZYBOEDPYFLFMU-OHUGHZGNSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-18-34-28(36-39-18)26-11-9-22(15-32-26)37-12-4-5-19(17-37)13-20-6-2-3-7-25(20)35-29-33-16-27(38-29)21-8-10-23(30)24(31)14-21/h8-11,14-16,19-20,25H,2-7,12-13,17H2,1H3,(H,33,35)/t19-,20+,25-/m1/s1.
What are the key properties of 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine?
5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine has a molecular weight of 534.61 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[(1R,2S)-2-[[(3R)-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]piperidin-3-yl]methyl]cyclohexyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 149002563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).