2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide

C24H31N3O2 — CID 3847950

IUPAC2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C(N)Cc2ccccc2)n1)C12CCC3CC(CC1C3)C2
InChIInChI=1S/C24H31N3O2/c1-15(24-8-7-17-9-18(13-24)11-19(24)10-17)26-22(28)21-14-29-23(27-21)20(25)12-16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13,25H2,1H3,(H,26,28)
InChIKeyPDKARONPWRQZCG-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.25
Rot. Bonds6

About 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3847950) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3847950
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C(N)Cc2ccccc2)n1)C12CCC3CC(CC1C3)C2
InChIInChI=1S/C24H31N3O2/c1-15(24-8-7-17-9-18(13-24)11-19(24)10-17)26-22(28)21-14-29-23(27-21)20(25)12-16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13,25H2,1H3,(H,26,28)
InChIKeyPDKARONPWRQZCG-UHFFFAOYSA-N
XLogP4.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
2-(1-amino-2-phenylethyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3682218
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3847950) is 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(C(N)Cc2ccccc2)n1)C12CCC3CC(CC1C3)C2.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PDKARONPWRQZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-15(24-8-7-17-9-18(13-24)11-19(24)10-17)26-22(28)21-14-29-23(27-21)20(25)12-16-5-3-2-4-6-16/h2-6,14-15,17-20H,7-13,25H2,1H3,(H,26,28).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3847950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).