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

C16H29N3O3 — CID 107442106

IUPACtert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
SMILESCc1cc(CNCC(CNC(=O)OC(C)(C)C)C(C)C)on1
InChIInChI=1S/C16H29N3O3/c1-11(2)13(9-18-15(20)21-16(4,5)6)8-17-10-14-7-12(3)19-22-14/h7,11,13,17H,8-10H2,1-6H3,(H,18,20)
InChIKeyIOWQQGYUYZKVLD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.87
Rot. Bonds7

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

tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate (PubChem CID 107442106) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
PubChem CID107442106
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
SMILESCc1cc(CNCC(CNC(=O)OC(C)(C)C)C(C)C)on1
InChIInChI=1S/C16H29N3O3/c1-11(2)13(9-18-15(20)21-16(4,5)6)8-17-10-14-7-12(3)19-22-14/h7,11,13,17H,8-10H2,1-6H3,(H,18,20)
InChIKeyIOWQQGYUYZKVLD-UHFFFAOYSA-N
XLogP2.87
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
tert-butyl N-[3-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442018
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[3-methyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]butyl]carbamate
CID 107442025
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[3-methyl-2-[(2-pyridin-4-ylethylamino)methyl]butyl]carbamate
CID 107441867
tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate
CID 56790313
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[2-[(2,5-dimethylanilino)methyl]-3-methylbutyl]carbamate
CID 107441111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate (CID 107442106) is tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate is Cc1cc(CNCC(CNC(=O)OC(C)(C)C)C(C)C)on1.
What is the InChIKey of tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate?
The InChIKey is IOWQQGYUYZKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-11(2)13(9-18-15(20)21-16(4,5)6)8-17-10-14-7-12(3)19-22-14/h7,11,13,17H,8-10H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate is sourced from PubChem (CID 107442106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).