tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate

C16H27N3O4 — CID 126818833

IUPACtert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
SMILESCc1nc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C16H27N3O4/c1-11-13(17-12(2)22-11)14(20)18(6)9-8-10-19(7)15(21)23-16(3,4)5/h8-10H2,1-7H3
InChIKeyHURRPUKBTZVTNR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate

tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate (PubChem CID 126818833) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
PubChem CID126818833
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
SMILESCc1nc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(C)o1
InChIInChI=1S/C16H27N3O4/c1-11-13(17-12(2)22-11)14(20)18(6)9-8-10-19(7)15(21)23-16(3,4)5/h8-10H2,1-7H3
InChIKeyHURRPUKBTZVTNR-UHFFFAOYSA-N
XLogP2.62
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
CID 164902574
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-methylamino]propyl]-N-methylcarbamate
CID 100654760
3-bromopropyl-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamic acid
CID 174166406
tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate
CID 119037331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate (CID 126818833) is tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate is Cc1nc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(C)o1.
What is the InChIKey of tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate?
The InChIKey is HURRPUKBTZVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-11-13(17-12(2)22-11)14(20)18(6)9-8-10-19(7)15(21)23-16(3,4)5/h8-10H2,1-7H3.
What are the key properties of tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 126818833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).