N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide

C12H20N2O2 — CID 51077165

IUPACN,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CC(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-8(2)6-10(4)14(5)12(15)11-7-9(3)13-16-11/h7-8,10H,6H2,1-5H3
InChIKeyLFOUNKFBRQGWSJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.49
Rot. Bonds4

About N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide

N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 51077165) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID51077165
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CC(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-8(2)6-10(4)14(5)12(15)11-7-9(3)13-16-11/h7-8,10H,6H2,1-5H3
InChIKeyLFOUNKFBRQGWSJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide (CID 51077165) is N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)C(C)CC(C)C)on1.
What is the InChIKey of N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is LFOUNKFBRQGWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)6-10(4)14(5)12(15)11-7-9(3)13-16-11/h7-8,10H,6H2,1-5H3.
What are the key properties of N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide?
N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51077165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).