N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide

C16H19N3O2 — CID 45178755

IUPACN-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)C1CCCO1
InChIInChI=1S/C16H19N3O2/c20-16(15-7-4-10-21-15)18-14(11-19-9-8-17-12-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14-15H,4,7,10-11H2,(H,18,20)
InChIKeyQHNSIYADVJUCTG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds5

About N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide (PubChem CID 45178755) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
PubChem CID45178755
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)C1CCCO1
InChIInChI=1S/C16H19N3O2/c20-16(15-7-4-10-21-15)18-14(11-19-9-8-17-12-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14-15H,4,7,10-11H2,(H,18,20)
InChIKeyQHNSIYADVJUCTG-UHFFFAOYSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448954
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126429651
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 166334268
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide (CID 45178755) is N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide is O=C(NC(Cn1ccnc1)c1ccccc1)C1CCCO1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide?
The InChIKey is QHNSIYADVJUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(15-7-4-10-21-15)18-14(11-19-9-8-17-12-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14-15H,4,7,10-11H2,(H,18,20).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 45178755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).