2-pentan-3-yl-1,3-oxazole-5-carboxamide

C9H14N2O2 — CID 156643927

IUPAC2-pentan-3-yl-1,3-oxazole-5-carboxamide
SMILESCCC(CC)c1ncc(C(N)=O)o1
InChIInChI=1S/C9H14N2O2/c1-3-6(4-2)9-11-5-7(13-9)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyLVMIVQUMSIKLBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.68
Rot. Bonds4

About 2-pentan-3-yl-1,3-oxazole-5-carboxamide

2-pentan-3-yl-1,3-oxazole-5-carboxamide (PubChem CID 156643927) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-pentan-3-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-pentan-3-yl-1,3-oxazole-5-carboxamide
PubChem CID156643927
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-pentan-3-yl-1,3-oxazole-5-carboxamide
SMILESCCC(CC)c1ncc(C(N)=O)o1
InChIInChI=1S/C9H14N2O2/c1-3-6(4-2)9-11-5-7(13-9)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyLVMIVQUMSIKLBD-UHFFFAOYSA-N
XLogP1.68
TPSA69.12 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1,3-oxazole-5-carboxamide
CID 121231880
2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
CID 83853063
[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid
CID 175483034
2-(dichloromethyl)-1,3-oxazole-5-carboxylic acid
CID 127020814
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
CID 131265035
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
CID 77463883
[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate
CID 174461737
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
5-ethyl-2-pentan-3-ylpyrimidine
CID 130320548
1,3-oxazole-5-carboxamide
CID 22318809
3-butan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985518

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-pentan-3-yl-1,3-oxazole-5-carboxamide (CID 156643927) is 2-pentan-3-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-pentan-3-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-pentan-3-yl-1,3-oxazole-5-carboxamide is CCC(CC)c1ncc(C(N)=O)o1.
What is the InChIKey of 2-pentan-3-yl-1,3-oxazole-5-carboxamide?
The InChIKey is LVMIVQUMSIKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6(4-2)9-11-5-7(13-9)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 2-pentan-3-yl-1,3-oxazole-5-carboxamide?
2-pentan-3-yl-1,3-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 156643927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).