ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate

C18H23N3O4S — CID 166886924

IUPACethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)S1
InChIInChI=1S/C18H23N3O4S/c1-2-24-18(23)14-5-6-15(26-14)21-9-10-25-13-11-12(19-16(13)21)17(22)20-7-3-4-8-20/h6,11,14,19H,2-5,7-10H2,1H3
InChIKeyOCDBZHUPBBOAKQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.36
Rot. Bonds4

About ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate

ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate (PubChem CID 166886924) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate
PubChem CID166886924
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)S1
InChIInChI=1S/C18H23N3O4S/c1-2-24-18(23)14-5-6-15(26-14)21-9-10-25-13-11-12(19-16(13)21)17(22)20-7-3-4-8-20/h6,11,14,19H,2-5,7-10H2,1H3
InChIKeyOCDBZHUPBBOAKQ-UHFFFAOYSA-N
XLogP2.36
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1H-indol-5-yl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994314
2-iodo-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 154994306
N,3-dimethyl-4-[6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]benzamide
CID 166887026
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
2-imino-N-propan-2-yl-4-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carboxamide
CID 154994710
4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoic acid
CID 154994272
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidine-3-carboxylate
CID 94041930
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
tert-butyl 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3-methylbenzoate
CID 154994362
6-(diazirin-1-yl)-2-(2-methylhydrazinyl)-4-[5-(pyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2H-pyridine-1-carbaldehyde
CID 154995055
ethyl 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperidine-4-carboxylate
CID 35512697
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate?
The IUPAC name of ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate (CID 166886924) is ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate is CCOC(=O)C1CC=C(N2CCOc3cc(C(=O)N4CCCC4)[nH]c32)S1.
What is the InChIKey of ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate?
The InChIKey is OCDBZHUPBBOAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-2-24-18(23)14-5-6-15(26-14)21-9-10-25-13-11-12(19-16(13)21)17(22)20-7-3-4-8-20/h6,11,14,19H,2-5,7-10H2,1H3.
What are the key properties of ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate?
ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2,3-dihydrothiophene-2-carboxylate is sourced from PubChem (CID 166886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).