5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide

C18H23N3O4 — CID 131910828

IUPAC5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1C(=O)N(C)C
InChIInChI=1S/C18H23N3O4/c1-11-14(12(2)25-20-11)7-9-17(22)19-13-6-8-16(24-5)15(10-13)18(23)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,22)
InChIKeyJMECJIUAJCKQHK-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.57
Rot. Bonds6

About 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide

5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide (PubChem CID 131910828) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
PubChem CID131910828
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1C(=O)N(C)C
InChIInChI=1S/C18H23N3O4/c1-11-14(12(2)25-20-11)7-9-17(22)19-13-6-8-16(24-5)15(10-13)18(23)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,22)
InChIKeyJMECJIUAJCKQHK-UHFFFAOYSA-N
XLogP2.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
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2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
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N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
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2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
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5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
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CID 27038879
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide (CID 131910828) is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide is COc1ccc(NC(=O)CCc2c(C)noc2C)cc1C(=O)N(C)C.
What is the InChIKey of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is JMECJIUAJCKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-14(12(2)25-20-11)7-9-17(22)19-13-6-8-16(24-5)15(10-13)18(23)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,22).
What are the key properties of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide?
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 131910828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).