N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C18H20N4O3 — CID 51100367

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC(C)c3nc(C)no3)o2)cc1
InChIInChI=1S/C18H20N4O3/c1-11-4-6-14(7-5-11)15-10-19-17(24-15)9-8-16(23)20-12(2)18-21-13(3)22-25-18/h4-7,10,12H,8-9H2,1-3H3,(H,20,23)
InChIKeyYCULSPAWJAWBQG-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 51100367) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID51100367
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC(C)c3nc(C)no3)o2)cc1
InChIInChI=1S/C18H20N4O3/c1-11-4-6-14(7-5-11)15-10-19-17(24-15)9-8-16(23)20-12(2)18-21-13(3)22-25-18/h4-7,10,12H,8-9H2,1-3H3,(H,20,23)
InChIKeyYCULSPAWJAWBQG-UHFFFAOYSA-N
XLogP3.15
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 51100367) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NC(C)c3nc(C)no3)o2)cc1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is YCULSPAWJAWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-4-6-14(7-5-11)15-10-19-17(24-15)9-8-16(23)20-12(2)18-21-13(3)22-25-18/h4-7,10,12H,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 51100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).