tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate

C16H29N3O4 — CID 154795670

IUPACtert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate
SMILESCCc1nocc1CN(C)CC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-7-14-12(11-22-17-14)8-18(5)9-13(20)10-19(6)15(21)23-16(2,3)4/h11,13,20H,7-10H2,1-6H3
InChIKeyPCMZKELTEJPUFO-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate

tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate (PubChem CID 154795670) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate
PubChem CID154795670
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate
SMILESCCc1nocc1CN(C)CC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-7-14-12(11-22-17-14)8-18(5)9-13(20)10-19(6)15(21)23-16(2,3)4/h11,13,20H,7-10H2,1-6H3
InChIKeyPCMZKELTEJPUFO-UHFFFAOYSA-N
XLogP1.90
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-N-methylcarbamate
CID 90426747
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-[3-(3-bromo-5-methylphenoxy)-2-hydroxypropyl]-N-methylcarbamate
CID 118974939
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate (CID 154795670) is tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate is CCc1nocc1CN(C)CC(O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate?
The InChIKey is PCMZKELTEJPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-7-14-12(11-22-17-14)8-18(5)9-13(20)10-19(6)15(21)23-16(2,3)4/h11,13,20H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate?
tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate has a molecular weight of 327.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate is sourced from PubChem (CID 154795670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).