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

C16H22N2O2 — CID 8712693

IUPACN-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c1-9-14(10(2)20-18-9)15(19)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,17,19)
InChIKeySPQFEFMUZHNYII-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.99
Rot. Bonds2

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

N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 8712693) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID8712693
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c1-9-14(10(2)20-18-9)15(19)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,17,19)
InChIKeySPQFEFMUZHNYII-UHFFFAOYSA-N
XLogP2.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-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

Related Compounds

CID 2970212
CID 2970212
CID 5020885
CID 5020885
CID 156609886
CID 156609886
CID 39258382
CID 39258382
CID 2739698
CID 2739698
CID 8934469
CID 8934469
CID 136512560
CID 136512560
CID 6464598
CID 6464598
CID 7750111
CID 7750111
CID 9141993
CID 9141993
CID 17190957
CID 17190957
CID 17191016
CID 17191016

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 8712693) is N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SPQFEFMUZHNYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-14(10(2)20-18-9)15(19)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8712693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).