5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C11H16N2O3 — CID 2970309

IUPAC5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)no1
InChIInChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(14)12-8(2)10-4-3-5-15-10/h6,8,10H,3-5H2,1-2H3,(H,12,14)
InChIKeyBNCCAXKTQXOWFR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds3

About 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 2970309) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID2970309
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)no1
InChIInChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(14)12-8(2)10-4-3-5-15-10/h6,8,10H,3-5H2,1-2H3,(H,12,14)
InChIKeyBNCCAXKTQXOWFR-UHFFFAOYSA-N
XLogP1.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
CID 2225132
(5-Methyl-1,2-oxazol-3-yl)[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]methanone
CID 2970475
N-cyclopentyl-5-propyl-1,2-oxazole-3-carboxamide
CID 5307778
3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
N-hexyl-5-[4-(5-oxooxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
CID 44580445
N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97397432
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 110127537
5-ethyl-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 110127571

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 2970309) is 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)C2CCCO2)no1.
What is the InChIKey of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BNCCAXKTQXOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(14)12-8(2)10-4-3-5-15-10/h6,8,10H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).