N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide

C21H25ClN2O3 — CID 40926285

IUPACN-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
SMILESO=C1O[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c22-16-2-1-3-17(7-16)24-12-18(27-20(24)26)11-23-19(25)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15,18H,4-6,8-12H2,(H,23,25)/t13?,14?,15?,18-,21?/m1/s1
InChIKeyIZODHRJIDBQWIF-YXSDIZSPSA-N
MW388.90 g/mol
LogP4.00
Rot. Bonds4

About N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide

N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide (PubChem CID 40926285) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
PubChem CID40926285
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
SMILESO=C1O[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c22-16-2-1-3-17(7-16)24-12-18(27-20(24)26)11-23-19(25)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15,18H,4-6,8-12H2,(H,23,25)/t13?,14?,15?,18-,21?/m1/s1
InChIKeyIZODHRJIDBQWIF-YXSDIZSPSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 16923127
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921016
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]oxolane-2-carboxamide
CID 110327953
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921088
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide
CID 110327955

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide (CID 40926285) is N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide is O=C1O[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1cccc(Cl)c1.
What is the InChIKey of N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The InChIKey is IZODHRJIDBQWIF-YXSDIZSPSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-16-2-1-3-17(7-16)24-12-18(27-20(24)26)11-23-19(25)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15,18H,4-6,8-12H2,(H,23,25)/t13?,14?,15?,18-,21?/m1/s1.
What are the key properties of N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 40926285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).