N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide

C24H28F2N4O3 — CID 162611429

IUPACN-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CCCCC1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C1CCCCC1
InChIInChI=1S/C24H28F2N4O3/c25-20(26)23-29-28-22(33-23)15-10-11-16-13-30(24(32)17(16)12-15)19-9-5-4-8-18(19)27-21(31)14-6-2-1-3-7-14/h10-12,14,18-20H,1-9,13H2,(H,27,31)/t18-,19?/m1/s1
InChIKeyBNYNLQGGZRZAMN-MRTLOADZSA-N
MW458.51 g/mol
LogP4.64
Rot. Bonds5

About N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide

N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide (PubChem CID 162611429) has the molecular formula C24H28F2N4O3 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
PubChem CID162611429
Molecular FormulaC24H28F2N4O3
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC NameN-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CCCCC1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C1CCCCC1
InChIInChI=1S/C24H28F2N4O3/c25-20(26)23-29-28-22(33-23)15-10-11-16-13-30(24(32)17(16)12-15)19-9-5-4-8-18(19)27-21(31)14-6-2-1-3-7-14/h10-12,14,18-20H,1-9,13H2,(H,27,31)/t18-,19?/m1/s1
InChIKeyBNYNLQGGZRZAMN-MRTLOADZSA-N
XLogP4.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide (CID 162611429) is N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide is O=C(N[C@@H]1CCCCC1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C1CCCCC1.
What is the InChIKey of N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide?
The InChIKey is BNYNLQGGZRZAMN-MRTLOADZSA-N. The full InChI is InChI=1S/C24H28F2N4O3/c25-20(26)23-29-28-22(33-23)15-10-11-16-13-30(24(32)17(16)12-15)19-9-5-4-8-18(19)27-21(31)14-6-2-1-3-7-14/h10-12,14,18-20H,1-9,13H2,(H,27,31)/t18-,19?/m1/s1.
What are the key properties of N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide?
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide has a molecular weight of 458.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 162611429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).