N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide

C22H26N2O2 — CID 3875326

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1
InChIInChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25)
InChIKeyOIKOIZIBSGXBPF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.77
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 3875326) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID3875326
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1
InChIInChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25)
InChIKeyOIKOIZIBSGXBPF-UHFFFAOYSA-N
XLogP4.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98234045
N-(3,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4020937
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
(5S,7R)-N-(2,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2379502
3-(4-methylphenyl)-N-(3-methylsulfonylphenyl)adamantane-1-carboxamide
CID 55416136
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
(5S,7R)-3-(4-methylphenyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]adamantane-1-carboxamide
CID 27787859
(5R,7R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98144224
(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286
2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 6591742
(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide (CID 3875326) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide is Cc1ccc(C23CC4CC(CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is OIKOIZIBSGXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 3875326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).