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

C13H22N2O2 — CID 134005900

IUPACN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyGAOFUIPJWILXHY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.83
Rot. Bonds4

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

N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 134005900) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID134005900
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyGAOFUIPJWILXHY-UHFFFAOYSA-N
XLogP2.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.83
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-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 134005900) is N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N(C)CC(C)C.
What is the InChIKey of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GAOFUIPJWILXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.83, 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-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134005900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).