N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide

C16H19N3O2 — CID 53159108

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-17-8-9-19(12)14-6-4-13(5-7-14)11-18-16(20)15-3-2-10-21-15/h4-9,15H,2-3,10-11H2,1H3,(H,18,20)
InChIKeyLAECPBOUPBOUAU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.98
Rot. Bonds4

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 53159108) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID53159108
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-17-8-9-19(12)14-6-4-13(5-7-14)11-18-16(20)15-3-2-10-21-15/h4-9,15H,2-3,10-11H2,1H3,(H,18,20)
InChIKeyLAECPBOUPBOUAU-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide (CID 53159108) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide is Cc1nccn1-c1ccc(CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is LAECPBOUPBOUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-17-8-9-19(12)14-6-4-13(5-7-14)11-18-16(20)15-3-2-10-21-15/h4-9,15H,2-3,10-11H2,1H3,(H,18,20).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 53159108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).