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

C11H19N3O3 — CID 107236775

IUPACtert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate
SMILESCc1noc(C)c1CNNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O3/c1-7-9(8(2)17-14-7)6-12-13-10(15)16-11(3,4)5/h12H,6H2,1-5H3,(H,13,15)
InChIKeyYIKVRMUNQQKLGB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.82
Rot. Bonds3

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

tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate (PubChem CID 107236775) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate
PubChem CID107236775
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate
SMILESCc1noc(C)c1CNNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O3/c1-7-9(8(2)17-14-7)6-12-13-10(15)16-11(3,4)5/h12H,6H2,1-5H3,(H,13,15)
InChIKeyYIKVRMUNQQKLGB-UHFFFAOYSA-N
XLogP1.82
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1,3,5-trimethylpyrazol-4-yl)methylamino]carbamate
CID 107236747
tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 71846045
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-methylpropanoate
CID 71247972
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170831622
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
tert-butyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate?
The IUPAC name of tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate (CID 107236775) is tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate is Cc1noc(C)c1CNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate?
The InChIKey is YIKVRMUNQQKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7-9(8(2)17-14-7)6-12-13-10(15)16-11(3,4)5/h12H,6H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate?
tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate is sourced from PubChem (CID 107236775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).