N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C13H17N5O3 — CID 128977398

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1noc(C)n1
InChIInChI=1S/C13H17N5O3/c1-3-18-6-5-14-12(18)10-9(4-7-20-10)16-13(19)11-15-8(2)21-17-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,19)/t9-,10-/m0/s1
InChIKeyHXKKFOWYRODMEI-UWVGGRQHSA-N
MW291.31 g/mol
LogP0.85
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 128977398) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID128977398
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1noc(C)n1
InChIInChI=1S/C13H17N5O3/c1-3-18-6-5-14-12(18)10-9(4-7-20-10)16-13(19)11-15-8(2)21-17-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,19)/t9-,10-/m0/s1
InChIKeyHXKKFOWYRODMEI-UWVGGRQHSA-N
XLogP0.85
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 128977398) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1noc(C)n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HXKKFOWYRODMEI-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-18-6-5-14-12(18)10-9(4-7-20-10)16-13(19)11-15-8(2)21-17-11/h5-6,9-10H,3-4,7H2,1-2H3,(H,16,19)/t9-,10-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 128977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).