N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide

C19H26N4O2 — CID 160808877

IUPACN-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(C2(c3ccc(C)cc3)CC2)o1
InChIInChI=1S/C19H26N4O2/c1-13-6-8-15(9-7-13)19(10-11-19)18-23-22-17(25-18)16(21-14(2)24)5-3-4-12-20/h6-9,16H,3-5,10-12,20H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyQXPFNPLBSDTNPX-INIZCTEOSA-N
MW342.44 g/mol
LogP2.76
Rot. Bonds8

About N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide

N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (PubChem CID 160808877) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
PubChem CID160808877
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(C2(c3ccc(C)cc3)CC2)o1
InChIInChI=1S/C19H26N4O2/c1-13-6-8-15(9-7-13)19(10-11-19)18-23-22-17(25-18)16(21-14(2)24)5-3-4-12-20/h6-9,16H,3-5,10-12,20H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyQXPFNPLBSDTNPX-INIZCTEOSA-N
XLogP2.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide (CID 160808877) is N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is CC(=O)N[C@@H](CCCCN)c1nnc(C2(c3ccc(C)cc3)CC2)o1.
What is the InChIKey of N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
The InChIKey is QXPFNPLBSDTNPX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-6-8-15(9-7-13)19(10-11-19)18-23-22-17(25-18)16(21-14(2)24)5-3-4-12-20/h6-9,16H,3-5,10-12,20H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide?
N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-amino-1-[5-[1-(4-methylphenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 160808877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).