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

C23H32N4O3 — CID 118511129

IUPAC5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCCC1
InChIInChI=1S/C23H32N4O3/c1-15-19(25-30-21(15)17-11-7-4-5-8-12-17)22(28)24-20-16(2)26(3)27(23(20)29)18-13-9-6-10-14-18/h11,18H,4-10,12-14H2,1-3H3,(H,24,28)
InChIKeyZQVCSQDLZJFMOF-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.90
Rot. Bonds4

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

5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511129) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511129
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCCC1
InChIInChI=1S/C23H32N4O3/c1-15-19(25-30-21(15)17-11-7-4-5-8-12-17)22(28)24-20-16(2)26(3)27(23(20)29)18-13-9-6-10-14-18/h11,18H,4-10,12-14H2,1-3H3,(H,24,28)
InChIKeyZQVCSQDLZJFMOF-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511129) is 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCCC1.
What is the InChIKey of 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZQVCSQDLZJFMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-15-19(25-30-21(15)17-11-7-4-5-8-12-17)22(28)24-20-16(2)26(3)27(23(20)29)18-13-9-6-10-14-18/h11,18H,4-10,12-14H2,1-3H3,(H,24,28).
What are the key properties of 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohepten-1-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).