2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C14H20N4O3 — CID 95215298

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCc1cc(CC(=O)N[C@@H](C)c2nc(CC(C)C)no2)on1
InChIInChI=1S/C14H20N4O3/c1-8(2)5-12-16-14(21-18-12)10(4)15-13(19)7-11-6-9(3)17-20-11/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyDYXMOWHVWQVZRI-JTQLQIEISA-N
MW292.34 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 95215298) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID95215298
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCc1cc(CC(=O)N[C@@H](C)c2nc(CC(C)C)no2)on1
InChIInChI=1S/C14H20N4O3/c1-8(2)5-12-16-14(21-18-12)10(4)15-13(19)7-11-6-9(3)17-20-11/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyDYXMOWHVWQVZRI-JTQLQIEISA-N
XLogP1.98
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 95215298) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is Cc1cc(CC(=O)N[C@@H](C)c2nc(CC(C)C)no2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is DYXMOWHVWQVZRI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8(2)5-12-16-14(21-18-12)10(4)15-13(19)7-11-6-9(3)17-20-11/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 95215298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).