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

C22H23ClN2O3 — CID 55593852

IUPACN-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C22H23ClN2O3/c1-4-25(13-17-6-5-7-19(23)12-17)22(26)18-8-10-20(11-9-18)27-14-21-15(2)24-28-16(21)3/h5-12H,4,13-14H2,1-3H3
InChIKeyCWCPPYUXURCZTP-UHFFFAOYSA-N
MW398.89 g/mol
LogP5.19
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (PubChem CID 55593852) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
PubChem CID55593852
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C22H23ClN2O3/c1-4-25(13-17-6-5-7-19(23)12-17)22(26)18-8-10-20(11-9-18)27-14-21-15(2)24-28-16(21)3/h5-12H,4,13-14H2,1-3H3
InChIKeyCWCPPYUXURCZTP-UHFFFAOYSA-N
XLogP5.19
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 31335493
N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 9168070
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 25161960
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253
N-[(5-chlorothiophen-2-yl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 39736579
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (CID 55593852) is N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
The InChIKey is CWCPPYUXURCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-4-25(13-17-6-5-7-19(23)12-17)22(26)18-8-10-20(11-9-18)27-14-21-15(2)24-28-16(21)3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?
N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 55593852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).