N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H17N3O4 — CID 91778429

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)c3c(C)noc3C)no2)c1
InChIInChI=1S/C17H17N3O4/c1-10-16(11(2)23-19-10)17(21)18-9-13-8-15(24-20-13)12-5-4-6-14(7-12)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyBEAZBEZKMRRMDV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.89
Rot. Bonds5

About N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 91778429) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID91778429
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)c3c(C)noc3C)no2)c1
InChIInChI=1S/C17H17N3O4/c1-10-16(11(2)23-19-10)17(21)18-9-13-8-15(24-20-13)12-5-4-6-14(7-12)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyBEAZBEZKMRRMDV-UHFFFAOYSA-N
XLogP2.89
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 91778429) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1cccc(-c2cc(CNC(=O)c3c(C)noc3C)no2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is BEAZBEZKMRRMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-16(11(2)23-19-10)17(21)18-9-13-8-15(24-20-13)12-5-4-6-14(7-12)22-3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91778429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).