(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone

C10H13NO2S — CID 110740608

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone
SMILESCC1(C)COCN1C(=O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-10(2)6-13-7-11(10)9(12)8-4-3-5-14-8/h3-5H,6-7H2,1-2H3
InChIKeyPVIRHAOQDIUOEP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.96
Rot. Bonds1

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone (PubChem CID 110740608) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone
PubChem CID110740608
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone
SMILESCC1(C)COCN1C(=O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-10(2)6-13-7-11(10)9(12)8-4-3-5-14-8/h3-5H,6-7H2,1-2H3
InChIKeyPVIRHAOQDIUOEP-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384978
[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384979

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone (CID 110740608) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone is CC1(C)COCN1C(=O)c1cccs1.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone?
The InChIKey is PVIRHAOQDIUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(2)6-13-7-11(10)9(12)8-4-3-5-14-8/h3-5H,6-7H2,1-2H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110740608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).