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

C18H26N2O2 — CID 8934469

IUPACN-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-11-16(12(2)22-20-11)17(21)19-4-3-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyHHWOXSNSYBHMEL-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.63
Rot. Bonds4

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

N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 8934469) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID8934469
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-11-16(12(2)22-20-11)17(21)19-4-3-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyHHWOXSNSYBHMEL-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 8934469) is N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HHWOXSNSYBHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11-16(12(2)22-20-11)17(21)19-4-3-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8934469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).