2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide

C21H22N4O2 — CID 166099668

IUPAC2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCC(C(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C21H22N4O2/c1-13(20(26)23-14(2)15-6-4-3-5-7-15)21-24-19(25-27-21)17-10-11-22-18(12-17)16-8-9-16/h3-7,10-14,16H,8-9H2,1-2H3,(H,23,26)/t13?,14-/m1/s1
InChIKeyAVUOOWVFTDRGSR-ARLHGKGLSA-N
MW362.43 g/mol
LogP3.99
Rot. Bonds6

About 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide

2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 166099668) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID166099668
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCC(C(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C21H22N4O2/c1-13(20(26)23-14(2)15-6-4-3-5-7-15)21-24-19(25-27-21)17-10-11-22-18(12-17)16-8-9-16/h3-7,10-14,16H,8-9H2,1-2H3,(H,23,26)/t13?,14-/m1/s1
InChIKeyAVUOOWVFTDRGSR-ARLHGKGLSA-N
XLogP3.99
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide (CID 166099668) is 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide is CC(C(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is AVUOOWVFTDRGSR-ARLHGKGLSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13(20(26)23-14(2)15-6-4-3-5-7-15)21-24-19(25-27-21)17-10-11-22-18(12-17)16-8-9-16/h3-7,10-14,16H,8-9H2,1-2H3,(H,23,26)/t13?,14-/m1/s1.
What are the key properties of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide?
2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 166099668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).