3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C21H26N2O3 — CID 168849421

IUPAC3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(C(c2ccccc2)C2C3CC4CC(C3)CC2C4)C(=O)O1
InChIInChI=1S/C21H26N2O3/c22-20(24)17-11-23(21(25)26-17)19(14-4-2-1-3-5-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19H,6-11H2,(H2,22,24)
InChIKeyFOWUMYJJXAVCMW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.11
Rot. Bonds4

About 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849421) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849421
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN(C(c2ccccc2)C2C3CC4CC(C3)CC2C4)C(=O)O1
InChIInChI=1S/C21H26N2O3/c22-20(24)17-11-23(21(25)26-17)19(14-4-2-1-3-5-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19H,6-11H2,(H2,22,24)
InChIKeyFOWUMYJJXAVCMW-UHFFFAOYSA-N
XLogP3.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849336
2-(2-adamantyl)-2-phenoxyacetamide
CID 67285468
2-adamantyl(phenyl)methanamine
CID 81096130
(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11099554
(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
CID 11122628
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
CID 174731482
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
CID 143715156
2-[(1S)-1-(2-adamantyl)-2,2-dihydroxyethyl]isoindole-1,3-dione
CID 138979702
(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
CID 139095598
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide
CID 119528854

Frequently Asked Questions

What is the IUPAC name of 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849421) is 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN(C(c2ccccc2)C2C3CC4CC(C3)CC2C4)C(=O)O1.
What is the InChIKey of 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is FOWUMYJJXAVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c22-20(24)17-11-23(21(25)26-17)19(14-4-2-1-3-5-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19H,6-11H2,(H2,22,24).
What are the key properties of 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).