N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide

C17H21N3O3 — CID 126829410

IUPACN-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide
SMILESCCc1ccc(-c2cnc(NC(=O)C3(OC)CCOC3)[nH]2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-12-4-6-13(7-5-12)14-10-18-16(19-14)20-15(21)17(22-2)8-9-23-11-17/h4-7,10H,3,8-9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyBKOVZSLOACKNFR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.38
Rot. Bonds5

About N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide

N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide (PubChem CID 126829410) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide
PubChem CID126829410
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide
SMILESCCc1ccc(-c2cnc(NC(=O)C3(OC)CCOC3)[nH]2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-12-4-6-13(7-5-12)14-10-18-16(19-14)20-15(21)17(22-2)8-9-23-11-17/h4-7,10H,3,8-9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyBKOVZSLOACKNFR-UHFFFAOYSA-N
XLogP2.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide?
The IUPAC name of N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide (CID 126829410) is N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide.
What is the SMILES notation for N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide?
The canonical SMILES for N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide is CCc1ccc(-c2cnc(NC(=O)C3(OC)CCOC3)[nH]2)cc1.
What is the InChIKey of N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide?
The InChIKey is BKOVZSLOACKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-12-4-6-13(7-5-12)14-10-18-16(19-14)20-15(21)17(22-2)8-9-23-11-17/h4-7,10H,3,8-9,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide?
N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-3-methoxyoxolane-3-carboxamide is sourced from PubChem (CID 126829410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).