5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane

C13H24N2O2 — CID 144998221

IUPAC5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane
SMILESCCC.CCCCCNC(=O)c1ncoc1C
InChIInChI=1S/C10H16N2O2.C3H8/c1-3-4-5-6-11-10(13)9-8(2)14-7-12-9;1-3-2/h7H,3-6H2,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyQXYBMHNASMEDBY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.32
Rot. Bonds5

About 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane

5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane (PubChem CID 144998221) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane.

Molecular Properties

Compound Name5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane
PubChem CID144998221
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane
SMILESCCC.CCCCCNC(=O)c1ncoc1C
InChIInChI=1S/C10H16N2O2.C3H8/c1-3-4-5-6-11-10(13)9-8(2)14-7-12-9;1-3-2/h7H,3-6H2,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyQXYBMHNASMEDBY-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.32
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

N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-5-methyl-1,3-oxazole-4-carboxamide hydrochloride
CID 72918063
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53195169
N-(cyclohexylmethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195171
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195189
5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195191
N-Cyclohexyl-5-methyl-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195198
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane?
The IUPAC name of 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane (CID 144998221) is 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane.
What is the SMILES notation for 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane?
The canonical SMILES for 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane is CCC.CCCCCNC(=O)c1ncoc1C.
What is the InChIKey of 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane?
The InChIKey is QXYBMHNASMEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C3H8/c1-3-4-5-6-11-10(13)9-8(2)14-7-12-9;1-3-2/h7H,3-6H2,1-2H3,(H,11,13);3H2,1-2H3.
What are the key properties of 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane?
5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane has a molecular weight of 240.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentyl-1,3-oxazole-4-carboxamide;propane is sourced from PubChem (CID 144998221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).