2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C18H23N3O2 — CID 164640938

IUPAC2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc(CCC2(C)CC2)n1)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)19-16(22)12-15-20-17(23-21-15)8-9-18(2)10-11-18/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyDQDXHLBVFBPRBH-ZDUSSCGKSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds7

About 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 164640938) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID164640938
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc(CCC2(C)CC2)n1)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)19-16(22)12-15-20-17(23-21-15)8-9-18(2)10-11-18/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyDQDXHLBVFBPRBH-ZDUSSCGKSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide
CID 95764861
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92893111
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide
CID 97179672
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152
3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 94081168
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)acetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626048
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 164640938) is 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cc1noc(CCC2(C)CC2)n1)c1ccccc1.
What is the InChIKey of 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is DQDXHLBVFBPRBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)19-16(22)12-15-20-17(23-21-15)8-9-18(2)10-11-18/h3-7,13H,8-12H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 164640938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).