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

C22H21N3O3 — CID 55580007

IUPACN-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-21(16(2)28-24-15)14-27-20-10-8-19(9-11-20)22(26)25(3)13-18-6-4-17(12-23)5-7-18/h4-11H,13-14H2,1-3H3
InChIKeyASVXJEGKDWGAPN-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.01
Rot. Bonds6

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

N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (PubChem CID 55580007) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
PubChem CID55580007
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-21(16(2)28-24-15)14-27-20-10-8-19(9-11-20)22(26)25(3)13-18-6-4-17(12-23)5-7-18/h4-11H,13-14H2,1-3H3
InChIKeyASVXJEGKDWGAPN-UHFFFAOYSA-N
XLogP4.01
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
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-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39861861
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 31784558
(4-cyanophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 7744557
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (CID 55580007) is N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The InChIKey is ASVXJEGKDWGAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-21(16(2)28-24-15)14-27-20-10-8-19(9-11-20)22(26)25(3)13-18-6-4-17(12-23)5-7-18/h4-11H,13-14H2,1-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 55580007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).