(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one

C20H21N3O3 — CID 58229045

IUPAC(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCOc1ccc([C@H]2COC(=O)N2c2cc(C)c3nc[nH]c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-8-25-16-6-4-14(5-7-16)18-11-26-20(24)23(18)15-9-13(2)19-17(10-15)21-12-22-19/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyATSKZZYZECAMAQ-GOSISDBHSA-N
MW351.41 g/mol
LogP4.36
Rot. Bonds5

About (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one

(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 58229045) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID58229045
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCOc1ccc([C@H]2COC(=O)N2c2cc(C)c3nc[nH]c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-8-25-16-6-4-14(5-7-16)18-11-26-20(24)23(18)15-9-13(2)19-17(10-15)21-12-22-19/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyATSKZZYZECAMAQ-GOSISDBHSA-N
XLogP4.36
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one (CID 58229045) is (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one is CCCOc1ccc([C@H]2COC(=O)N2c2cc(C)c3nc[nH]c3c2)cc1.
What is the InChIKey of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is ATSKZZYZECAMAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-8-25-16-6-4-14(5-7-16)18-11-26-20(24)23(18)15-9-13(2)19-17(10-15)21-12-22-19/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).