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

C17H24N2O2 — CID 18194330

IUPACN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20)
InChIKeyRPTSGOVETKDAFK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.24
Rot. Bonds3

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

N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18194330) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18194330
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20)
InChIKeyRPTSGOVETKDAFK-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 98217035
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91781523
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 75681402
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
CID 97314194
3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 47734044
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 18194330) is N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RPTSGOVETKDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).