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

C21H25ClN2O3 — CID 16921012

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
SMILESO=C1OC(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)
InChIKeyIZODHRJIDBQWIF-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.00
Rot. Bonds4

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

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide (PubChem CID 16921012) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
PubChem CID16921012
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
SMILESO=C1OC(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)
InChIKeyIZODHRJIDBQWIF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide (CID 16921012) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide is O=C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CN1c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
The InChIKey is IZODHRJIDBQWIF-UHFFFAOYSA-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).
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide?
N-[[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-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16921012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).