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

C18H20N6O4 — CID 55649496

IUPAC1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N(C)CC(=O)Nc3cc(C)on3)c2C)c1
InChIInChI=1S/C18H20N6O4/c1-11-8-15(21-28-11)19-16(25)10-23(3)18(26)17-12(2)24(22-20-17)13-6-5-7-14(9-13)27-4/h5-9H,10H2,1-4H3,(H,19,21,25)
InChIKeyCEDRWSRMIPFOCD-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.59
Rot. Bonds6

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

1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide (PubChem CID 55649496) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide
PubChem CID55649496
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)N(C)CC(=O)Nc3cc(C)on3)c2C)c1
InChIInChI=1S/C18H20N6O4/c1-11-8-15(21-28-11)19-16(25)10-23(3)18(26)17-12(2)24(22-20-17)13-6-5-7-14(9-13)27-4/h5-9H,10H2,1-4H3,(H,19,21,25)
InChIKeyCEDRWSRMIPFOCD-UHFFFAOYSA-N
XLogP1.59
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
CID 55650122
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[2-(4-bromoanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55878500
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
CID 3525076
N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4080843
1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide
CID 55765879
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
1-(3,4-dimethylphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 16648808
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide (CID 55649496) is 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)N(C)CC(=O)Nc3cc(C)on3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide?
The InChIKey is CEDRWSRMIPFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-11-8-15(21-28-11)19-16(25)10-23(3)18(26)17-12(2)24(22-20-17)13-6-5-7-14(9-13)27-4/h5-9H,10H2,1-4H3,(H,19,21,25).
What are the key properties of 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide is sourced from PubChem (CID 55649496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).