N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

C22H22F2N2O4 — CID 31238590

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N2O4/c1-14-20(15(2)30-25-14)13-28-19-6-4-5-17(11-19)21(27)26(3)12-16-7-9-18(10-8-16)29-22(23)24/h4-11,22H,12-13H2,1-3H3
InChIKeyZZXDEWOAKFRCIF-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.74
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (PubChem CID 31238590) has the molecular formula C22H22F2N2O4 and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
PubChem CID31238590
Molecular FormulaC22H22F2N2O4
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N2O4/c1-14-20(15(2)30-25-14)13-28-19-6-4-5-17(11-19)21(27)26(3)12-16-7-9-18(10-8-16)29-22(23)24/h4-11,22H,12-13H2,1-3H3
InChIKeyZZXDEWOAKFRCIF-UHFFFAOYSA-N
XLogP4.74
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 60540359

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (CID 31238590) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The InChIKey is ZZXDEWOAKFRCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4/c1-14-20(15(2)30-25-14)13-28-19-6-4-5-17(11-19)21(27)26(3)12-16-7-9-18(10-8-16)29-22(23)24/h4-11,22H,12-13H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide has a molecular weight of 416.42 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 31238590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).