2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C18H23F2N3O4 — CID 42957860

IUPAC2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2cc(C)no2)ccc1OC(F)F
InChIInChI=1S/C18H23F2N3O4/c1-5-25-15-9-13(6-7-14(15)26-18(19)20)10-23(4)12(3)17(24)21-16-8-11(2)22-27-16/h6-9,12,18H,5,10H2,1-4H3,(H,21,24)
InChIKeyCMKMEPIOKJCULO-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.44
Rot. Bonds9

About 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 42957860) has the molecular formula C18H23F2N3O4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID42957860
Molecular FormulaC18H23F2N3O4
Molecular Weight383.40 g/mol
Exact Mass383.17
IUPAC Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2cc(C)no2)ccc1OC(F)F
InChIInChI=1S/C18H23F2N3O4/c1-5-25-15-9-13(6-7-14(15)26-18(19)20)10-23(4)12(3)17(24)21-16-8-11(2)22-27-16/h6-9,12,18H,5,10H2,1-4H3,(H,21,24)
InChIKeyCMKMEPIOKJCULO-UHFFFAOYSA-N
XLogP3.44
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46405979
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 46406134
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
(2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 36969125
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 42957860) is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is CCOc1cc(CN(C)C(C)C(=O)Nc2cc(C)no2)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is CMKMEPIOKJCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O4/c1-5-25-15-9-13(6-7-14(15)26-18(19)20)10-23(4)12(3)17(24)21-16-8-11(2)22-27-16/h6-9,12,18H,5,10H2,1-4H3,(H,21,24).
What are the key properties of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 383.40 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 42957860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).