4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide

C20H28N4O2 — CID 136528969

IUPAC4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2C)no1
InChIInChI=1S/C20H28N4O2/c1-15(2)18-12-19(22-26-18)21-20(25)24-11-7-10-23(13-16(24)3)14-17-8-5-4-6-9-17/h4-6,8-9,12,15-16H,7,10-11,13-14H2,1-3H3,(H,21,22,25)
InChIKeySOGHJIWBUQSFMD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.93
Rot. Bonds4

About 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide

4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide (PubChem CID 136528969) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
PubChem CID136528969
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2C)no1
InChIInChI=1S/C20H28N4O2/c1-15(2)18-12-19(22-26-18)21-20(25)24-11-7-10-23(13-16(24)3)14-17-8-5-4-6-9-17/h4-6,8-9,12,15-16H,7,10-11,13-14H2,1-3H3,(H,21,22,25)
InChIKeySOGHJIWBUQSFMD-UHFFFAOYSA-N
XLogP3.93
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
(2S)-4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 95775566
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 136527494
4-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-3-methyl-4-oxobutanenitrile
CID 126826712
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95635280
(4-benzyl-2-methyl-1,4-diazepan-1-yl)-[5-(hydroxymethyl)furan-3-yl]methanone
CID 126824447
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide (CID 136528969) is 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide is CC(C)c1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2C)no1.
What is the InChIKey of 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is SOGHJIWBUQSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)18-12-19(22-26-18)21-20(25)24-11-7-10-23(13-16(24)3)14-17-8-5-4-6-9-17/h4-6,8-9,12,15-16H,7,10-11,13-14H2,1-3H3,(H,21,22,25).
What are the key properties of 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide?
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 136528969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).