tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate

C15H21N3O4 — CID 162376290

IUPACtert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)C(CCO)c1ccc2nccn2c1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18(21)12(6-9-19)11-4-5-13-16-7-8-17(13)10-11/h4-5,7-8,10,12,19,21H,6,9H2,1-3H3
InChIKeyYJWVQPFGFUNLSL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate

tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate (PubChem CID 162376290) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate
PubChem CID162376290
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nametert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)C(CCO)c1ccc2nccn2c1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18(21)12(6-9-19)11-4-5-13-16-7-8-17(13)10-11/h4-5,7-8,10,12,19,21H,6,9H2,1-3H3
InChIKeyYJWVQPFGFUNLSL-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(4-cyanophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 129188716
tert-butyl N-[1-(3,5-difluorophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 155250734
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
tert-butyl N-hydroxy-N-[3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)propyl]carbamate
CID 162376612
tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid
CID 159290380
tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
CID 167810976
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
2-ethyl-N-imidazo[1,2-a]pyridin-6-ylbutanamide
CID 110734672
[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate
CID 68819415
tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10520632
2,2-dimethylpropanamide;6-ethylimidazo[1,2-a]pyridine
CID 157046695
tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate
CID 154985438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate (CID 162376290) is tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate is CC(C)(C)OC(=O)N(O)C(CCO)c1ccc2nccn2c1.
What is the InChIKey of tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate?
The InChIKey is YJWVQPFGFUNLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18(21)12(6-9-19)11-4-5-13-16-7-8-17(13)10-11/h4-5,7-8,10,12,19,21H,6,9H2,1-3H3.
What are the key properties of tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate?
tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate has a molecular weight of 307.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate is sourced from PubChem (CID 162376290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).