tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

C10H17N3O4 — CID 123235066

IUPACtert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCc1nnc(C(O)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H17N3O4/c1-6-12-13-8(16-6)7(14)5-11-9(15)17-10(2,3)4/h7,14H,5H2,1-4H3,(H,11,15)
InChIKeyBCVQUPSKCMKENN-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.94
Rot. Bonds3

About tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 123235066) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID123235066
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Nametert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCc1nnc(C(O)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H17N3O4/c1-6-12-13-8(16-6)7(14)5-11-9(15)17-10(2,3)4/h7,14H,5H2,1-4H3,(H,11,15)
InChIKeyBCVQUPSKCMKENN-UHFFFAOYSA-N
XLogP0.94
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]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

tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
CID 163257034
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
CID 77221627
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 123235066) is tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is Cc1nnc(C(O)CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is BCVQUPSKCMKENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6-12-13-8(16-6)7(14)5-11-9(15)17-10(2,3)4/h7,14H,5H2,1-4H3,(H,11,15).
What are the key properties of tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 243.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 123235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).