N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C14H22N2O2 — CID 9268638

IUPACN-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyBTRGEDVIDQVNFG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.00
Rot. Bonds3

About N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 9268638) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID9268638
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyBTRGEDVIDQVNFG-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 9268638) is N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BTRGEDVIDQVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-13(10(2)18-16-12)14(17)15-11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9268638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).