4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide

C18H26N2O3 — CID 110725947

IUPAC4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCC(C)N1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-12(2)20-11-15(23-17(20)22)10-19-16(21)13-6-8-14(9-7-13)18(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,19,21)
InChIKeyULAQSZQDTRODNL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.94
Rot. Bonds4

About 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide

4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide (PubChem CID 110725947) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
PubChem CID110725947
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCC(C)N1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-12(2)20-11-15(23-17(20)22)10-19-16(21)13-6-8-14(9-7-13)18(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,19,21)
InChIKeyULAQSZQDTRODNL-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]-4-propan-2-ylbenzamide
CID 110725938
2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide
CID 110744132
4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110315571
3-fluoro-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725933
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]oxolane-2-carboxamide
CID 110725921
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-4-carboxamide
CID 110710356
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
2-(3-methylphenoxy)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110726002
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-tert-butylbenzamide
CID 94890632

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide (CID 110725947) is 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide is CC(C)N1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)OC1=O.
What is the InChIKey of 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The InChIKey is ULAQSZQDTRODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)20-11-15(23-17(20)22)10-19-16(21)13-6-8-14(9-7-13)18(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide is sourced from PubChem (CID 110725947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).