N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C18H26N2O2 — CID 9141993

IUPACN-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-3-15-16(11(2)22-20-15)17(21)19-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,3-10H2,1-2H3,(H,19,21)
InChIKeyQGDZNXJPIUAIJN-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.49
Rot. Bonds4

About N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 9141993) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID9141993
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O2/c1-3-15-16(11(2)22-20-15)17(21)19-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,3-10H2,1-2H3,(H,19,21)
InChIKeyQGDZNXJPIUAIJN-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 9141993) is N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QGDZNXJPIUAIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-15-16(11(2)22-20-15)17(21)19-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).