N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide

C18H19N3O3 — CID 9463031

IUPACN-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C18H19N3O3/c22-18(20-9-4-11-21-12-10-19-14-21)17-8-7-16(24-17)13-23-15-5-2-1-3-6-15/h1-3,5-8,10,12,14H,4,9,11,13H2,(H,20,22)
InChIKeyOHQFAFCYKJAICJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.88
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide

N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 9463031) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID9463031
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C18H19N3O3/c22-18(20-9-4-11-21-12-10-19-14-21)17-8-7-16(24-17)13-23-15-5-2-1-3-6-15/h1-3,5-8,10,12,14H,4,9,11,13H2,(H,20,22)
InChIKeyOHQFAFCYKJAICJ-UHFFFAOYSA-N
XLogP2.88
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 35294139
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
CID 82109593
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19452599
5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 55853074
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19325798
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide (CID 9463031) is N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide is O=C(NCCCn1ccnc1)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is OHQFAFCYKJAICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(20-9-4-11-21-12-10-19-14-21)17-8-7-16(24-17)13-23-15-5-2-1-3-6-15/h1-3,5-8,10,12,14H,4,9,11,13H2,(H,20,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 9463031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).