2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

C18H24N2O5 — CID 91833624

IUPAC2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)N(C)Cc2cc(C(C)C)no2)cc1OC
InChIInChI=1S/C18H24N2O5/c1-11(2)14-7-12(25-19-14)10-20(3)18(21)13-8-16(23-5)17(24-6)9-15(13)22-4/h7-9,11H,10H2,1-6H3
InChIKeyMFNGKEYFHKFUFM-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.10
Rot. Bonds7

About 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 91833624) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID91833624
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)N(C)Cc2cc(C(C)C)no2)cc1OC
InChIInChI=1S/C18H24N2O5/c1-11(2)14-7-12(25-19-14)10-20(3)18(21)13-8-16(23-5)17(24-6)9-15(13)22-4/h7-9,11H,10H2,1-6H3
InChIKeyMFNGKEYFHKFUFM-UHFFFAOYSA-N
XLogP3.10
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
CID 118772025
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 118767211
2-methyl-3-[methyl-(2,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 119228595
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91834493
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 31369496
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831346
4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 134381873
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 91833624) is 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is COc1cc(OC)c(C(=O)N(C)Cc2cc(C(C)C)no2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is MFNGKEYFHKFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11(2)14-7-12(25-19-14)10-20(3)18(21)13-8-16(23-5)17(24-6)9-15(13)22-4/h7-9,11H,10H2,1-6H3.
What are the key properties of 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 91833624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).