4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide

C24H29N3O4 — CID 55721236

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide
SMILESCOc1cc(C(=O)NCC(C)N(C)c2ccccc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C24H29N3O4/c1-16(27(4)20-9-7-6-8-10-20)14-25-24(28)19-11-12-22(23(13-19)29-5)30-15-21-17(2)26-31-18(21)3/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyUWTVUFHDVLEZIT-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.13
Rot. Bonds9

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide (PubChem CID 55721236) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide
PubChem CID55721236
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide
SMILESCOc1cc(C(=O)NCC(C)N(C)c2ccccc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C24H29N3O4/c1-16(27(4)20-9-7-6-8-10-20)14-25-24(28)19-11-12-22(23(13-19)29-5)30-15-21-17(2)26-31-18(21)3/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyUWTVUFHDVLEZIT-UHFFFAOYSA-N
XLogP4.13
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 41275870
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26383518
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 55509371
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55986766

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide (CID 55721236) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide is COc1cc(C(=O)NCC(C)N(C)c2ccccc2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide?
The InChIKey is UWTVUFHDVLEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(27(4)20-9-7-6-8-10-20)14-25-24(28)19-11-12-22(23(13-19)29-5)30-15-21-17(2)26-31-18(21)3/h6-13,16H,14-15H2,1-5H3,(H,25,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 55721236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).