N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H28N2O4 — CID 19443228

IUPACN-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2c(C(=O)NC3C4CC5CC(C4)CC3C5)noc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-13-20(12-28-19-5-3-18(27-2)4-6-19)22(25-29-13)23(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-12H2,1-2H3,(H,24,26)
InChIKeyZPVFUFNETSGFAV-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.13
Rot. Bonds6

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

N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443228) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443228
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2c(C(=O)NC3C4CC5CC(C4)CC3C5)noc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-13-20(12-28-19-5-3-18(27-2)4-6-19)22(25-29-13)23(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-12H2,1-2H3,(H,24,26)
InChIKeyZPVFUFNETSGFAV-UHFFFAOYSA-N
XLogP4.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492574
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443193
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 167763232
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19443181
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-(2-adamantyl)-2-(4-methoxyphenoxy)acetamide
CID 883714
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443228) is N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(OCc2c(C(=O)NC3C4CC5CC(C4)CC3C5)noc2C)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZPVFUFNETSGFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-13-20(12-28-19-5-3-18(27-2)4-6-19)22(25-29-13)23(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-12H2,1-2H3,(H,24,26).
What are the key properties of N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).