N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide

C21H24N2O3 — CID 135620163

IUPACN-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C21H24N2O3/c24-18-4-2-1-3-16(18)17-8-19(26-23-17)20(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15,24H,5-7,9-12H2,(H,22,25)
InChIKeyFUAHPCLEJVJQGL-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds4

About N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide

N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 135620163) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID135620163
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C21H24N2O3/c24-18-4-2-1-3-16(18)17-8-19(26-23-17)20(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15,24H,5-7,9-12H2,(H,22,25)
InChIKeyFUAHPCLEJVJQGL-UHFFFAOYSA-N
XLogP3.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 135619804
3-(2-hydroxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 135936097
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
N-butan-2-yl-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135506185
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(1-adamantylmethyl)-3-methyl-4-phenylsulfanyl-1,2-oxazole-5-carboxamide
CID 59436840
N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38029532
N-(1-adamantylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030361
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
CID 17145977

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide (CID 135620163) is N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2O)no1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FUAHPCLEJVJQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-18-4-2-1-3-16(18)17-8-19(26-23-17)20(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15,24H,5-7,9-12H2,(H,22,25).
What are the key properties of N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide?
N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135620163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).