N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C24H32N4O2 — CID 58995082

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C24H32N4O2/c1-16-15-25-21(26-16)22(29)27-20-7-6-18(24(4)28(5)12-13-30-24)14-19(20)17-8-10-23(2,3)11-9-17/h6-8,14-15H,9-13H2,1-5H3,(H,25,26)(H,27,29)
InChIKeyUTVYAKKVTUXQEI-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.70
Rot. Bonds4

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 58995082) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID58995082
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C24H32N4O2/c1-16-15-25-21(26-16)22(29)27-20-7-6-18(24(4)28(5)12-13-30-24)14-19(20)17-8-10-23(2,3)11-9-17/h6-8,14-15H,9-13H2,1-5H3,(H,25,26)(H,27,29)
InChIKeyUTVYAKKVTUXQEI-UHFFFAOYSA-N
XLogP4.70
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 58995082) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is UTVYAKKVTUXQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-15-25-21(26-16)22(29)27-20-7-6-18(24(4)28(5)12-13-30-24)14-19(20)17-8-10-23(2,3)11-9-17/h6-8,14-15H,9-13H2,1-5H3,(H,25,26)(H,27,29).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).