[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C19H26N2O5 — CID 646348

IUPAC[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCCCC(OC(=O)c1cc2occc2n1C)C(=O)NCC1CCCO1
InChIInChI=1S/C19H26N2O5/c1-3-4-7-16(18(22)20-12-13-6-5-9-24-13)26-19(23)15-11-17-14(21(15)2)8-10-25-17/h8,10-11,13,16H,3-7,9,12H2,1-2H3,(H,20,22)
InChIKeyZOZRGJYCXYEXQU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.78
Rot. Bonds8

About [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 646348) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID646348
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCCCC(OC(=O)c1cc2occc2n1C)C(=O)NCC1CCCO1
InChIInChI=1S/C19H26N2O5/c1-3-4-7-16(18(22)20-12-13-6-5-9-24-13)26-19(23)15-11-17-14(21(15)2)8-10-25-17/h8,10-11,13,16H,3-7,9,12H2,1-2H3,(H,20,22)
InChIKeyZOZRGJYCXYEXQU-UHFFFAOYSA-N
XLogP2.78
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-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

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
CID 124155030
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-Isopropyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 653115
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 656050
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
2,4-Dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 3228588
2,4-Dimethyl-5-furo[3,2-b]pyrrolecarboxylic acid [3-methyl-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl] ester
CID 3228603
N-[3-(2-furyl)-1-methylpropyl]-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
CID 3238987

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 646348) is [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is CCCCC(OC(=O)c1cc2occc2n1C)C(=O)NCC1CCCO1.
What is the InChIKey of [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZOZRGJYCXYEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-4-7-16(18(22)20-12-13-6-5-9-24-13)26-19(23)15-11-17-14(21(15)2)8-10-25-17/h8,10-11,13,16H,3-7,9,12H2,1-2H3,(H,20,22).
What are the key properties of [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(oxolan-2-ylmethylamino)hexan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 646348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).