N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H26N2O2 — CID 5020885

IUPACN-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-10-16(11(2)22-20-10)17(21)19-12(3)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyOUMFGHOHCXVQHD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.63
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 5020885) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID5020885
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-10-16(11(2)22-20-10)17(21)19-12(3)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyOUMFGHOHCXVQHD-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 5020885) is N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is OUMFGHOHCXVQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-10-16(11(2)22-20-10)17(21)19-12(3)18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 5020885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).