3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide

C19H24N2O4 — CID 94615559

IUPAC3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H24N2O4/c1-3-17-18(13(2)25-21-17)19(22)20-11-14-6-4-7-15(10-14)24-12-16-8-5-9-23-16/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyVCKSQACTZIEJFT-INIZCTEOSA-N
MW344.41 g/mol
LogP3.03
Rot. Bonds7

About 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 94615559) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID94615559
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H24N2O4/c1-3-17-18(13(2)25-21-17)19(22)20-11-14-6-4-7-15(10-14)24-12-16-8-5-9-23-16/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyVCKSQACTZIEJFT-INIZCTEOSA-N
XLogP3.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040
1-tert-butyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 51122526
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
7-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92562598
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 52505168

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 94615559) is 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VCKSQACTZIEJFT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-17-18(13(2)25-21-17)19(22)20-11-14-6-4-7-15(10-14)24-12-16-8-5-9-23-16/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 94615559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).