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

C18H24N2O3 — CID 110315571

IUPAC4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)13-6-4-12(5-7-13)16(21)19-10-15-11-20(14-8-9-14)17(22)23-15/h4-7,14-15H,8-11H2,1-3H3,(H,19,21)
InChIKeyOLRRZICOGOGFOU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.70
Rot. Bonds4

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

4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide (PubChem CID 110315571) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
PubChem CID110315571
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)13-6-4-12(5-7-13)16(21)19-10-15-11-20(14-8-9-14)17(22)23-15/h4-7,14-15H,8-11H2,1-3H3,(H,19,21)
InChIKeyOLRRZICOGOGFOU-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725947
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110634107
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-methoxybenzamide
CID 110315564
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylbenzamide
CID 110315613
1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
CID 110315593
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
2-cyclopentyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110354921
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-methoxy-5-phenylbenzamide
CID 110409409
N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 84582118
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
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]-4-propan-2-ylbenzamide
CID 110725938

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide (CID 110315571) is 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC2CN(C3CC3)C(=O)O2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide?
The InChIKey is OLRRZICOGOGFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)13-6-4-12(5-7-13)16(21)19-10-15-11-20(14-8-9-14)17(22)23-15/h4-7,14-15H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide?
4-tert-butyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.70, 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-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide is sourced from PubChem (CID 110315571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).