N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C18H22N2O4 — CID 94819634

IUPACN-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C1OCCN1c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C18H22N2O4/c21-17(20(16-5-6-16)11-13-7-9-23-12-13)14-1-3-15(4-2-14)19-8-10-24-18(19)22/h1-4,13,16H,5-12H2/t13-/m1/s1
InChIKeyFVDKBJDMIGSADM-CYBMUJFWSA-N
MW330.38 g/mol
LogP2.28
Rot. Bonds5

About N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 94819634) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID94819634
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C1OCCN1c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C18H22N2O4/c21-17(20(16-5-6-16)11-13-7-9-23-12-13)14-1-3-15(4-2-14)19-8-10-24-18(19)22/h1-4,13,16H,5-12H2/t13-/m1/s1
InChIKeyFVDKBJDMIGSADM-CYBMUJFWSA-N
XLogP2.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 94819634) is N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C1OCCN1c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is FVDKBJDMIGSADM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(20(16-5-6-16)11-13-7-9-23-12-13)14-1-3-15(4-2-14)19-8-10-24-18(19)22/h1-4,13,16H,5-12H2/t13-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 94819634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).