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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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
N-ethyl-2,5-dimethyl-N-(2-methylallyl)-1,3-oxazole-4-carboxamide
CID 53195125
N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53195169
4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-1,4-oxazepan-6-ol
CID 70761935
(3S)-1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-N,N-dimethylazepan-3-amine
CID 70774249
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
CID 126800338

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).