3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

C14H17N3O2S — CID 56899674

IUPAC3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCc1ccsc1-c1nccn1CCN1CCCOC1=O
InChIInChI=1S/C14H17N3O2S/c1-11-3-10-20-12(11)13-15-4-6-16(13)7-8-17-5-2-9-19-14(17)18/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyYISWHTMMQFATCJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (PubChem CID 56899674) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
PubChem CID56899674
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCc1ccsc1-c1nccn1CCN1CCCOC1=O
InChIInChI=1S/C14H17N3O2S/c1-11-3-10-20-12(11)13-15-4-6-16(13)7-8-17-5-2-9-19-14(17)18/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyYISWHTMMQFATCJ-UHFFFAOYSA-N
XLogP2.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dihydrothieno[3,2-C]pyridin-5(4h)-Yl(1h-Imidazol-1-Yl)methanone
CID 40126930
(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
(4-((2-methyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 52992571
1-({5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-thienyl}methyl)piperidine
CID 56745556
2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
1-[2-(methylsulfonyl)ethyl]-2-(3-methyl-2-thienyl)-1H-imidazole
CID 56912209
N-methyl-N-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}methanesulfonamide
CID 70739875
1-isopropyl-4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]pyrrolidin-2-one
CID 70774182
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50953248
ethyl 4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]piperidine-1-carboxylate
CID 56866312
N-[2-(dimethylamino)ethyl]-N'-[(1-isopropyl-1H-imidazol-2-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]urea
CID 122558337

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (CID 56899674) is 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is Cc1ccsc1-c1nccn1CCN1CCCOC1=O.
What is the InChIKey of 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is YISWHTMMQFATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-3-10-20-12(11)13-15-4-6-16(13)7-8-17-5-2-9-19-14(17)18/h3-4,6,10H,2,5,7-9H2,1H3.
What are the key properties of 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 291.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 56899674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).