(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C17H19NO5S — CID 67120468

IUPAC(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2COC(c3cccs3)N2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5S/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-23-17(18-11)14-5-4-6-24-14/h4-8,11,17-18H,9H2,1-3H3
InChIKeyPYZZEDTZPVOYBT-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.64
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67120468) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67120468
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2COC(c3cccs3)N2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5S/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-23-17(18-11)14-5-4-6-24-14/h4-8,11,17-18H,9H2,1-3H3
InChIKeyPYZZEDTZPVOYBT-UHFFFAOYSA-N
XLogP2.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 2364065
3,4,5-trimethoxy-N-[2-(2-thienyl)ethyl]benzamide
CID 27770210
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 2390489
3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105825
N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2515781
N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 3202654
N-[(Thiophen-2-YL)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
CID 3539587
3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4561772
3,4,5-trimethoxy-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]benzamide
CID 17011184
5-methoxy-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51073204
5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 71889954
3,4,5-trimethoxy-N-(2-thienylmethyl)benzamide
CID 301800

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 67120468) is (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2COC(c3cccs3)N2)cc(OC)c1OC.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PYZZEDTZPVOYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-20-12-7-10(8-13(21-2)16(12)22-3)15(19)11-9-23-17(18-11)14-5-4-6-24-14/h4-8,11,17-18H,9H2,1-3H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 349.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67120468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).