tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate

C13H22N2O5 — CID 170831622

IUPACtert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1noc(C)c1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-7-10(8(2)20-15-7)11(17)9(16)6-14-12(18)19-13(3,4)5/h9,11,16-17H,6H2,1-5H3,(H,14,18)
InChIKeyDRKSOVFOHFHDKY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.21
Rot. Bonds4

About tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170831622) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170831622
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Nametert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1noc(C)c1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-7-10(8(2)20-15-7)11(17)9(16)6-14-12(18)19-13(3,4)5/h9,11,16-17H,6H2,1-5H3,(H,14,18)
InChIKeyDRKSOVFOHFHDKY-UHFFFAOYSA-N
XLogP1.21
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-(2,6-diethyl-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832631
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[2,3-dihydroxy-3-(2,4,6-trifluorophenyl)propyl]carbamate
CID 170831934
2-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 170832200
tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833329
tert-butyl N-[2,3-dihydroxy-3-(5-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 170831524
tert-butyl N-[3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170832283
1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
CID 171889724
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831497

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate (CID 170831622) is tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate is Cc1noc(C)c1C(O)C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is DRKSOVFOHFHDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-7-10(8(2)20-15-7)11(17)9(16)6-14-12(18)19-13(3,4)5/h9,11,16-17H,6H2,1-5H3,(H,14,18).
What are the key properties of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170831622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).