[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate

C11H13N3O4 — CID 67733596

IUPAC[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
SMILESNC(=O)OC[C@H](N)COc1noc2ccccc12
InChIInChI=1S/C11H13N3O4/c12-7(6-17-11(13)15)5-16-10-8-3-1-2-4-9(8)18-14-10/h1-4,7H,5-6,12H2,(H2,13,15)/t7-/m1/s1
InChIKeyZOQJAKFJFNWYNV-SSDOTTSWSA-N
MW251.24 g/mol
LogP0.63
Rot. Bonds5

About [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate

[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate (PubChem CID 67733596) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
PubChem CID67733596
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
SMILESNC(=O)OC[C@H](N)COc1noc2ccccc12
InChIInChI=1S/C11H13N3O4/c12-7(6-17-11(13)15)5-16-10-8-3-1-2-4-9(8)18-14-10/h1-4,7H,5-6,12H2,(H2,13,15)/t7-/m1/s1
InChIKeyZOQJAKFJFNWYNV-SSDOTTSWSA-N
XLogP0.63
TPSA113.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
[3-amino-4-[(5-chloro-1,2-benzoxazol-3-yl)oxy]butyl] carbamate;hydrochloride
CID 23368426
3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
CID 23368503
[3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-2-(methylamino)propyl] carbamate
CID 23368480
3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol
CID 23368384
2-(1,2-benzoxazol-3-yloxy)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine;hydrochloride
CID 23368361
[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
CID 23368565
1,2-benzoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
CID 54541445
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
benzyl 2-(1,2-benzoxazol-3-yl)propanoate
CID 134527830
ethyl 2-(1,2-benzoxazol-3-yl)-2-cyanoacetate
CID 14112855

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate?
The IUPAC name of [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate (CID 67733596) is [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate.
What is the SMILES notation for [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate?
The canonical SMILES for [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate is NC(=O)OC[C@H](N)COc1noc2ccccc12.
What is the InChIKey of [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate?
The InChIKey is ZOQJAKFJFNWYNV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-7(6-17-11(13)15)5-16-10-8-3-1-2-4-9(8)18-14-10/h1-4,7H,5-6,12H2,(H2,13,15)/t7-/m1/s1.
What are the key properties of [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate?
[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate has a molecular weight of 251.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate is sourced from PubChem (CID 67733596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).