benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

C18H21N3O3 — CID 171410036

IUPACbenzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESO=C(NC[C@]1(c2ccon2)[C@@H]2CCNC[C@@H]21)OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-17(23-11-13-4-2-1-3-5-13)20-12-18(16-7-9-24-21-16)14-6-8-19-10-15(14)18/h1-5,7,9,14-15,19H,6,8,10-12H2,(H,20,22)/t14-,15+,18+/m1/s1
InChIKeyXUVJCRLZDQZRRV-VKJFTORMSA-N
MW327.38 g/mol
LogP2.08
Rot. Bonds5

About benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (PubChem CID 171410036) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
PubChem CID171410036
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namebenzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
SMILESO=C(NC[C@]1(c2ccon2)[C@@H]2CCNC[C@@H]21)OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c22-17(23-11-13-4-2-1-3-5-13)20-12-18(16-7-9-24-21-16)14-6-8-19-10-15(14)18/h1-5,7,9,14-15,19H,6,8,10-12H2,(H,20,22)/t14-,15+,18+/m1/s1
InChIKeyXUVJCRLZDQZRRV-VKJFTORMSA-N
XLogP2.08
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate with MolForge

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Related Compounds

benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
CID 164850769
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410221
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
phenylmethoxycarbonylamino pyrrolidine-3-carboxylate
CID 175425879
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (CID 171410036) is benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is O=C(NC[C@]1(c2ccon2)[C@@H]2CCNC[C@@H]21)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
The InChIKey is XUVJCRLZDQZRRV-VKJFTORMSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(23-11-13-4-2-1-3-5-13)20-12-18(16-7-9-24-21-16)14-6-8-19-10-15(14)18/h1-5,7,9,14-15,19H,6,8,10-12H2,(H,20,22)/t14-,15+,18+/m1/s1.
What are the key properties of benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?
benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is sourced from PubChem (CID 171410036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).