5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide

C18H22N2O4 — CID 71921983

IUPAC5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)on2)c(OCC2CCOC2)c1
InChIInChI=1S/C18H22N2O4/c1-12-3-4-15(9-19-18(21)16-8-13(2)24-20-16)17(7-12)23-11-14-5-6-22-10-14/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyUUDFPILPLKZIEL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.64
Rot. Bonds6

About 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71921983) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID71921983
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)on2)c(OCC2CCOC2)c1
InChIInChI=1S/C18H22N2O4/c1-12-3-4-15(9-19-18(21)16-8-13(2)24-20-16)17(7-12)23-11-14-5-6-22-10-14/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyUUDFPILPLKZIEL-UHFFFAOYSA-N
XLogP2.64
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 166205715
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971572

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 71921983) is 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(C)on2)c(OCC2CCOC2)c1.
What is the InChIKey of 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UUDFPILPLKZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-3-4-15(9-19-18(21)16-8-13(2)24-20-16)17(7-12)23-11-14-5-6-22-10-14/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).