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

C15H25N3O4 — CID 75438797

IUPACtert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCc1nc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H25N3O4/c1-10-12(21-11(2)16-10)13(19)17(6)8-9-18(7)14(20)22-15(3,4)5/h8-9H2,1-7H3
InChIKeyLESVVGYNWPNXHK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.23
Rot. Bonds4

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

tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate (PubChem CID 75438797) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
PubChem CID75438797
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCc1nc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H25N3O4/c1-10-12(21-11(2)16-10)13(19)17(6)8-9-18(7)14(20)22-15(3,4)5/h8-9H2,1-7H3
InChIKeyLESVVGYNWPNXHK-UHFFFAOYSA-N
XLogP2.23
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate (CID 75438797) is tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate is Cc1nc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is LESVVGYNWPNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10-12(21-11(2)16-10)13(19)17(6)8-9-18(7)14(20)22-15(3,4)5/h8-9H2,1-7H3.
What are the key properties of tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 75438797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).