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

C13H23N3O3 — CID 103389676

IUPACtert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
SMILESCc1cc(CNC(C)CNC(=O)OC(C)(C)C)on1
InChIInChI=1S/C13H23N3O3/c1-9-6-11(19-16-9)8-14-10(2)7-15-12(17)18-13(3,4)5/h6,10,14H,7-8H2,1-5H3,(H,15,17)
InChIKeySLBQHJAUGRSTMO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.99
Rot. Bonds5

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

tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate (PubChem CID 103389676) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
PubChem CID103389676
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
SMILESCc1cc(CNC(C)CNC(=O)OC(C)(C)C)on1
InChIInChI=1S/C13H23N3O3/c1-9-6-11(19-16-9)8-14-10(2)7-15-12(17)18-13(3,4)5/h6,10,14H,7-8H2,1-5H3,(H,15,17)
InChIKeySLBQHJAUGRSTMO-UHFFFAOYSA-N
XLogP1.99
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442106
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
tert-butyl N-[2-[(3-chloro-4-methylphenyl)methylamino]propyl]carbamate
CID 107248269
methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
CID 97069579
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate (CID 103389676) is tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate is Cc1cc(CNC(C)CNC(=O)OC(C)(C)C)on1.
What is the InChIKey of tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate?
The InChIKey is SLBQHJAUGRSTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-6-11(19-16-9)8-14-10(2)7-15-12(17)18-13(3,4)5/h6,10,14H,7-8H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate?
tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 103389676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).