N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide

C11H18N2O2 — CID 5309302

IUPACN-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-6-10(13-15-9)11(14)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyJISJPOSAIVVOOF-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.01
Rot. Bonds5

About N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5309302) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5309302
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-4-5-9-6-10(13-15-9)11(14)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyJISJPOSAIVVOOF-UHFFFAOYSA-N
XLogP2.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5309302) is N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCC(C)C)no1.
What is the InChIKey of N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is JISJPOSAIVVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-9-6-10(13-15-9)11(14)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).