N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide

C21H24N2O2 — CID 16866467

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2O2/c24-20(21-10-14-6-15(11-21)8-16(7-14)12-21)22-13-18-9-19(25-23-18)17-4-2-1-3-5-17/h1-5,9,14-16H,6-8,10-13H2,(H,22,24)
InChIKeyYKJPTAVOKWOMGH-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.17
Rot. Bonds4

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 16866467) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
PubChem CID16866467
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2O2/c24-20(21-10-14-6-15(11-21)8-16(7-14)12-21)22-13-18-9-19(25-23-18)17-4-2-1-3-5-17/h1-5,9,14-16H,6-8,10-13H2,(H,22,24)
InChIKeyYKJPTAVOKWOMGH-UHFFFAOYSA-N
XLogP4.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide (CID 16866467) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide is O=C(NCc1cc(-c2ccccc2)on1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is YKJPTAVOKWOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(21-10-14-6-15(11-21)8-16(7-14)12-21)22-13-18-9-19(25-23-18)17-4-2-1-3-5-17/h1-5,9,14-16H,6-8,10-13H2,(H,22,24).
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16866467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).