2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide

C17H21N3O3 — CID 131918431

IUPAC2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccccc2CCC(=O)NC)o1
InChIInChI=1S/C17H21N3O3/c1-4-15-19-11(2)16(23-15)17(22)20-13-8-6-5-7-12(13)9-10-14(21)18-3/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyIRIIRRLYBQOAHT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.48
Rot. Bonds6

About 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 131918431) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID131918431
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccccc2CCC(=O)NC)o1
InChIInChI=1S/C17H21N3O3/c1-4-15-19-11(2)16(23-15)17(22)20-13-8-6-5-7-12(13)9-10-14(21)18-3/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyIRIIRRLYBQOAHT-UHFFFAOYSA-N
XLogP2.48
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide (CID 131918431) is 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2ccccc2CCC(=O)NC)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IRIIRRLYBQOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-15-19-11(2)16(23-15)17(22)20-13-8-6-5-7-12(13)9-10-14(21)18-3/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131918431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).