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

C16H29N3O3 — CID 106369545

IUPACtert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
SMILESCc1cnc(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C16H29N3O3/c1-12-10-18-13(21-12)11-17-8-9-19(15(2,3)4)14(20)22-16(5,6)7/h10,17H,8-9,11H2,1-7H3
InChIKeyOYVPMMGBTJDKHM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.11
Rot. Bonds5

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

tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate (PubChem CID 106369545) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
PubChem CID106369545
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
SMILESCc1cnc(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C16H29N3O3/c1-12-10-18-13(21-12)11-17-8-9-19(15(2,3)4)14(20)22-16(5,6)7/h10,17H,8-9,11H2,1-7H3
InChIKeyOYVPMMGBTJDKHM-UHFFFAOYSA-N
XLogP3.11
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
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tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
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tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
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tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
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2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate (CID 106369545) is tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate is Cc1cnc(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)o1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate?
The InChIKey is OYVPMMGBTJDKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12-10-18-13(21-12)11-17-8-9-19(15(2,3)4)14(20)22-16(5,6)7/h10,17H,8-9,11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106369545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).