N-butyl-4-methyl-1,2-oxazole-5-carboxamide

C9H14N2O2 — CID 110848237

IUPACN-butyl-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1oncc1C
InChIInChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-7(2)6-11-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyZICDHQVIPHNUBN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.51
Rot. Bonds4

About N-butyl-4-methyl-1,2-oxazole-5-carboxamide

N-butyl-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110848237) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-butyl-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID110848237
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-butyl-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1oncc1C
InChIInChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-7(2)6-11-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyZICDHQVIPHNUBN-UHFFFAOYSA-N
XLogP1.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 155530152
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CID 60966581
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CID 81065629
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CID 79257715
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CID 79795993
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CID 103750166
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CID 103770285
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CID 104857180
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CID 107482333
CID 107482333

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butyl-4-methyl-1,2-oxazole-5-carboxamide (CID 110848237) is N-butyl-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butyl-4-methyl-1,2-oxazole-5-carboxamide is CCCCNC(=O)c1oncc1C.
What is the InChIKey of N-butyl-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZICDHQVIPHNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-7(2)6-11-13-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-4-methyl-1,2-oxazole-5-carboxamide?
N-butyl-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110848237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).