tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate

C9H15N3O3 — CID 117274287

IUPACtert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
SMILESCc1noc(N)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O3/c1-5-6(7(10)15-12-5)11-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,13)
InChIKeyGNPIWYZXZNXMPM-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate

tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate (PubChem CID 117274287) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
PubChem CID117274287
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nametert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
SMILESCc1noc(N)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O3/c1-5-6(7(10)15-12-5)11-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,13)
InChIKeyGNPIWYZXZNXMPM-UHFFFAOYSA-N
XLogP1.91
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 15315493
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate
CID 107236775
tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
CID 58895114
1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea
CID 10422499
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
CID 20624439

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate (CID 117274287) is tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate is Cc1noc(N)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate?
The InChIKey is GNPIWYZXZNXMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5-6(7(10)15-12-5)11-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate?
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate has a molecular weight of 213.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate is sourced from PubChem (CID 117274287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).