N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

C23H24N4O3 — CID 55636384

IUPACN-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C23H24N4O3/c28-22(19-6-2-7-20(13-19)26-23(29)21-8-3-11-30-21)25-14-17-4-1-5-18(12-17)15-27-10-9-24-16-27/h1-2,4-7,9-10,12-13,16,21H,3,8,11,14-15H2,(H,25,28)(H,26,29)
InChIKeyHOHPWWFTZHZTFV-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.98
Rot. Bonds7

About N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55636384) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55636384
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C23H24N4O3/c28-22(19-6-2-7-20(13-19)26-23(29)21-8-3-11-30-21)25-14-17-4-1-5-18(12-17)15-27-10-9-24-16-27/h1-2,4-7,9-10,12-13,16,21H,3,8,11,14-15H2,(H,25,28)(H,26,29)
InChIKeyHOHPWWFTZHZTFV-UHFFFAOYSA-N
XLogP2.98
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1R,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 99823873
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 55636384) is N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is HOHPWWFTZHZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(19-6-2-7-20(13-19)26-23(29)21-8-3-11-30-21)25-14-17-4-1-5-18(12-17)15-27-10-9-24-16-27/h1-2,4-7,9-10,12-13,16,21H,3,8,11,14-15H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).