5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide

C13H18N4O3 — CID 77084489

IUPAC5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(C)c1nc(CC(C)C)no1
InChIInChI=1S/C13H18N4O3/c1-7(2)5-10-16-13(20-17-10)8(3)15-12(18)11-9(4)19-6-14-11/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyFFJRCRCWLDTFOY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.06
Rot. Bonds5

About 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 77084489) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID77084489
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(C)c1nc(CC(C)C)no1
InChIInChI=1S/C13H18N4O3/c1-7(2)5-10-16-13(20-17-10)8(3)15-12(18)11-9(4)19-6-14-11/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyFFJRCRCWLDTFOY-UHFFFAOYSA-N
XLogP2.06
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide (CID 77084489) is 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC(C)c1nc(CC(C)C)no1.
What is the InChIKey of 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FFJRCRCWLDTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-7(2)5-10-16-13(20-17-10)8(3)15-12(18)11-9(4)19-6-14-11/h6-8H,5H2,1-4H3,(H,15,18).
What are the key properties of 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77084489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).