3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide

C20H29N5O2 — CID 95099510

IUPAC3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C20H29N5O2/c1-15(2)13-18(26)21-17(14-16-7-5-4-6-8-16)19-22-23-20(27-19)25-11-9-24(3)10-12-25/h4-8,15,17H,9-14H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyJONXNMSOGMGQHA-KRWDZBQOSA-N
MW371.49 g/mol
LogP2.27
Rot. Bonds7

About 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide

3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide (PubChem CID 95099510) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
PubChem CID95099510
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C20H29N5O2/c1-15(2)13-18(26)21-17(14-16-7-5-4-6-8-16)19-22-23-20(27-19)25-11-9-24(3)10-12-25/h4-8,15,17H,9-14H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyJONXNMSOGMGQHA-KRWDZBQOSA-N
XLogP2.27
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide?
The IUPAC name of 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide (CID 95099510) is 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide is CC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCN(C)CC2)o1.
What is the InChIKey of 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide?
The InChIKey is JONXNMSOGMGQHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(2)13-18(26)21-17(14-16-7-5-4-6-8-16)19-22-23-20(27-19)25-11-9-24(3)10-12-25/h4-8,15,17H,9-14H2,1-3H3,(H,21,26)/t17-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide?
3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide has a molecular weight of 371.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide is sourced from PubChem (CID 95099510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).