N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

C22H22F2N2O3 — CID 55509545

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H22F2N2O3/c1-13-19(15(3)29-25-13)12-28-18-8-5-16(6-9-18)22(27)26(4)14(2)17-7-10-20(23)21(24)11-17/h5-11,14H,12H2,1-4H3
InChIKeyJVTPBIAJMSUNEE-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.98
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (PubChem CID 55509545) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
PubChem CID55509545
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H22F2N2O3/c1-13-19(15(3)29-25-13)12-28-18-8-5-16(6-9-18)22(27)26(4)14(2)17-7-10-20(23)21(24)11-17/h5-11,14H,12H2,1-4H3
InChIKeyJVTPBIAJMSUNEE-UHFFFAOYSA-N
XLogP4.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052946
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7240217
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 31784558
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46620662
N-[1-(3,4-difluorophenyl)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836838
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (CID 55509545) is N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is Cc1noc(C)c1COc1ccc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The InChIKey is JVTPBIAJMSUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c1-13-19(15(3)29-25-13)12-28-18-8-5-16(6-9-18)22(27)26(4)14(2)17-7-10-20(23)21(24)11-17/h5-11,14H,12H2,1-4H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide has a molecular weight of 400.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 55509545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).