N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide

C19H25N3O2 — CID 71975238

IUPACN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)C1CCCOC1
InChIInChI=1S/C19H25N3O2/c23-19(17-9-5-13-24-15-17)21-14-18-20-10-12-22(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,(H,21,23)
InChIKeyDGGVJFONHYDWEZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds7

About N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide

N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide (PubChem CID 71975238) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
PubChem CID71975238
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)C1CCCOC1
InChIInChI=1S/C19H25N3O2/c23-19(17-9-5-13-24-15-17)21-14-18-20-10-12-22(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,(H,21,23)
InChIKeyDGGVJFONHYDWEZ-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide (CID 71975238) is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide is O=C(NCc1nccn1CCCc1ccccc1)C1CCCOC1.
What is the InChIKey of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The InChIKey is DGGVJFONHYDWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(17-9-5-13-24-15-17)21-14-18-20-10-12-22(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,(H,21,23).
What are the key properties of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 71975238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).