benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

C19H24N3O3+ — CID 171410221

IUPACbenzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESCc1cc(C2(CNC(=O)OCc3ccccc3)C3CC[NH2+]CC32)on1
InChIInChI=1S/C19H23N3O3/c1-13-9-17(25-22-13)19(15-7-8-20-10-16(15)19)12-21-18(23)24-11-14-5-3-2-4-6-14/h2-6,9,15-16,20H,7-8,10-12H2,1H3,(H,21,23)/p+1
InChIKeyQOGMRYWVJTZWJH-UHFFFAOYSA-O
MW342.42 g/mol
LogP1.36
Rot. Bonds5

About benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (PubChem CID 171410221) has the molecular formula C19H24N3O3+ and a molecular weight of 342.42 g/mol. Its IUPAC name is benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
PubChem CID171410221
Molecular FormulaC19H24N3O3+
Molecular Weight342.42 g/mol
Exact Mass342.18
IUPAC Namebenzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESCc1cc(C2(CNC(=O)OCc3ccccc3)C3CC[NH2+]CC32)on1
InChIInChI=1S/C19H23N3O3/c1-13-9-17(25-22-13)19(15-7-8-20-10-16(15)19)12-21-18(23)24-11-14-5-3-2-4-6-14/h2-6,9,15-16,20H,7-8,10-12H2,1H3,(H,21,23)/p+1
InChIKeyQOGMRYWVJTZWJH-UHFFFAOYSA-O
XLogP1.36
TPSA80.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate with MolForge

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Related Compounds

benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240
CID 164860654
CID 164860654
benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410036
benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
CID 164850769
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
benzyl N-[[(1S,6R,7S)-3-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 164860807
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (CID 171410221) is benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is Cc1cc(C2(CNC(=O)OCc3ccccc3)C3CC[NH2+]CC32)on1.
What is the InChIKey of benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The InChIKey is QOGMRYWVJTZWJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-17(25-22-13)19(15-7-8-20-10-16(15)19)12-21-18(23)24-11-14-5-3-2-4-6-14/h2-6,9,15-16,20H,7-8,10-12H2,1H3,(H,21,23)/p+1.
What are the key properties of benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate has a molecular weight of 342.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is sourced from PubChem (CID 171410221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).