N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C15H19N3O3 — CID 100690905

IUPACN-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCCN(CCc1noc([C@@H]2C[C@@H]2c2ccco2)n1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-3-18(10(2)19)7-6-14-16-15(21-17-14)12-9-11(12)13-5-4-8-20-13/h4-5,8,11-12H,3,6-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyPZMCNSMBRQOIGN-NWDGAFQWSA-N
MW289.33 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide

N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 100690905) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID100690905
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCCN(CCc1noc([C@@H]2C[C@@H]2c2ccco2)n1)C(C)=O
InChIInChI=1S/C15H19N3O3/c1-3-18(10(2)19)7-6-14-16-15(21-17-14)12-9-11(12)13-5-4-8-20-13/h4-5,8,11-12H,3,6-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyPZMCNSMBRQOIGN-NWDGAFQWSA-N
XLogP2.34
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 100690905) is N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide is CCN(CCc1noc([C@@H]2C[C@@H]2c2ccco2)n1)C(C)=O.
What is the InChIKey of N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is PZMCNSMBRQOIGN-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18(10(2)19)7-6-14-16-15(21-17-14)12-9-11(12)13-5-4-8-20-13/h4-5,8,11-12H,3,6-7,9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 100690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).