3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C18H20N4O4 — CID 131947019

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C18H20N4O4/c1-10-14(11(2)26-22-10)6-8-17(23)19-15-9-13(5-7-16(15)24-4)18-21-20-12(3)25-18/h5,7,9H,6,8H2,1-4H3,(H,19,23)
InChIKeyGBYTVLFWCQSZHZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.23
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 131947019) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID131947019
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C18H20N4O4/c1-10-14(11(2)26-22-10)6-8-17(23)19-15-9-13(5-7-16(15)24-4)18-21-20-12(3)25-18/h5,7,9H,6,8H2,1-4H3,(H,19,23)
InChIKeyGBYTVLFWCQSZHZ-UHFFFAOYSA-N
XLogP3.23
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 131947019) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is GBYTVLFWCQSZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-10-14(11(2)26-22-10)6-8-17(23)19-15-9-13(5-7-16(15)24-4)18-21-20-12(3)25-18/h5,7,9H,6,8H2,1-4H3,(H,19,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 356.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 131947019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).