N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide

C23H32N4O3 — CID 118511085

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C)CC1
InChIInChI=1S/C23H32N4O3/c1-14-10-12-17(13-11-14)21-15(2)19(25-30-21)22(28)24-20-16(3)26(4)27(23(20)29)18-8-6-5-7-9-18/h12,14,18H,5-11,13H2,1-4H3,(H,24,28)
InChIKeyIUOJSKMOBHZXOM-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.75
Rot. Bonds4

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide (PubChem CID 118511085) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
PubChem CID118511085
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C)CC1
InChIInChI=1S/C23H32N4O3/c1-14-10-12-17(13-11-14)21-15(2)19(25-30-21)22(28)24-20-16(3)26(4)27(23(20)29)18-8-6-5-7-9-18/h12,14,18H,5-11,13H2,1-4H3,(H,24,28)
InChIKeyIUOJSKMOBHZXOM-UHFFFAOYSA-N
XLogP4.75
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide (CID 118511085) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C)CC1.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is IUOJSKMOBHZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-14-10-12-17(13-11-14)21-15(2)19(25-30-21)22(28)24-20-16(3)26(4)27(23(20)29)18-8-6-5-7-9-18/h12,14,18H,5-11,13H2,1-4H3,(H,24,28).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-methylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).