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

C12H20N2O2 — CID 5307751

IUPACN-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(CC(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-5-9(4)13-12(15)11-7-10(16-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyBPYWNQNAKLNGQV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.40
Rot. Bonds5

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

N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5307751) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5307751
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(CC(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-5-9(4)13-12(15)11-7-10(16-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyBPYWNQNAKLNGQV-UHFFFAOYSA-N
XLogP2.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5307751) is N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CCC(C)NC(=O)c1cc(CC(C)C)on1.
What is the InChIKey of N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BPYWNQNAKLNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-9(4)13-12(15)11-7-10(16-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).