tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate

C16H27N3O4 — CID 56790313

IUPACtert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate
SMILESCc1cc(C(=O)NC(C)(CNC(=O)OC(C)(C)C)C(C)C)on1
InChIInChI=1S/C16H27N3O4/c1-10(2)16(7,9-17-14(21)22-15(4,5)6)18-13(20)12-8-11(3)19-23-12/h8,10H,9H2,1-7H3,(H,17,21)(H,18,20)
InChIKeyFDPMEKPMOGDIPX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate

tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate (PubChem CID 56790313) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate
PubChem CID56790313
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate
SMILESCc1cc(C(=O)NC(C)(CNC(=O)OC(C)(C)C)C(C)C)on1
InChIInChI=1S/C16H27N3O4/c1-10(2)16(7,9-17-14(21)22-15(4,5)6)18-13(20)12-8-11(3)19-23-12/h8,10H,9H2,1-7H3,(H,17,21)(H,18,20)
InChIKeyFDPMEKPMOGDIPX-UHFFFAOYSA-N
XLogP2.65
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.65
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-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 66168971
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119605837
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate (CID 56790313) is tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate is Cc1cc(C(=O)NC(C)(CNC(=O)OC(C)(C)C)C(C)C)on1.
What is the InChIKey of tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate?
The InChIKey is FDPMEKPMOGDIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-10(2)16(7,9-17-14(21)22-15(4,5)6)18-13(20)12-8-11(3)19-23-12/h8,10H,9H2,1-7H3,(H,17,21)(H,18,20).
What are the key properties of tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate?
tert-butyl N-[2,3-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 2.65, 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-dimethyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butyl]carbamate is sourced from PubChem (CID 56790313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).