N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C30H35F2N5O3 — CID 142751635

IUPACN-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(NC(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1
InChIInChI=1S/C30H35F2N5O3/c1-30(2,27-10-6-7-14-33-27)35-28(38)22-18-37(20-8-4-3-5-9-20)15-13-24(22)34-29(39)25-17-26(40-36-25)21-12-11-19(31)16-23(21)32/h6-7,10-12,14,16-17,20,22,24H,3-5,8-9,13,15,18H2,1-2H3,(H,34,39)(H,35,38)
InChIKeyRAIGYWMMZVOOQS-UHFFFAOYSA-N
MW551.64 g/mol
LogP4.82
Rot. Bonds7

About N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 142751635) has the molecular formula C30H35F2N5O3 and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID142751635
Molecular FormulaC30H35F2N5O3
Molecular Weight551.64 g/mol
Exact Mass551.27
IUPAC NameN-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(NC(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1
InChIInChI=1S/C30H35F2N5O3/c1-30(2,27-10-6-7-14-33-27)35-28(38)22-18-37(20-8-4-3-5-9-20)15-13-24(22)34-29(39)25-17-26(40-36-25)21-12-11-19(31)16-23(21)32/h6-7,10-12,14,16-17,20,22,24H,3-5,8-9,13,15,18H2,1-2H3,(H,34,39)(H,35,38)
InChIKeyRAIGYWMMZVOOQS-UHFFFAOYSA-N
XLogP4.82
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.64
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 142751635) is N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is CC(C)(NC(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1.
What is the InChIKey of N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RAIGYWMMZVOOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N5O3/c1-30(2,27-10-6-7-14-33-27)35-28(38)22-18-37(20-8-4-3-5-9-20)15-13-24(22)34-29(39)25-17-26(40-36-25)21-12-11-19(31)16-23(21)32/h6-7,10-12,14,16-17,20,22,24H,3-5,8-9,13,15,18H2,1-2H3,(H,34,39)(H,35,38).
What are the key properties of N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 142751635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).