4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide

C27H34N4O2 — CID 55823394

IUPAC4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
SMILESCCCc1noc(CCCC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)n1
InChIInChI=1S/C27H34N4O2/c1-2-8-25-29-27(33-30-25)12-7-11-26(32)28-19-23-9-3-4-10-24(23)22-15-13-21(14-16-22)20-31-17-5-6-18-31/h3-4,9-10,13-16H,2,5-8,11-12,17-20H2,1H3,(H,28,32)
InChIKeyQTWGZUDNDXJWNE-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.92
Rot. Bonds11

About 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide

4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide (PubChem CID 55823394) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
PubChem CID55823394
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
SMILESCCCc1noc(CCCC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)n1
InChIInChI=1S/C27H34N4O2/c1-2-8-25-29-27(33-30-25)12-7-11-26(32)28-19-23-9-3-4-10-24(23)22-15-13-21(14-16-22)20-31-17-5-6-18-31/h3-4,9-10,13-16H,2,5-8,11-12,17-20H2,1H3,(H,28,32)
InChIKeyQTWGZUDNDXJWNE-UHFFFAOYSA-N
XLogP4.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide with MolForge

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Related Compounds

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55845816
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
CID 55940350
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454749
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 92845510
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
CID 119869593
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N'-[2-(1H-indol-3-yl)acetyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822207
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899

Frequently Asked Questions

What is the IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide (CID 55823394) is 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide is CCCc1noc(CCCC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)n1.
What is the InChIKey of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide?
The InChIKey is QTWGZUDNDXJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-2-8-25-29-27(33-30-25)12-7-11-26(32)28-19-23-9-3-4-10-24(23)22-15-13-21(14-16-22)20-31-17-5-6-18-31/h3-4,9-10,13-16H,2,5-8,11-12,17-20H2,1H3,(H,28,32).
What are the key properties of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide?
4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide has a molecular weight of 446.60 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide is sourced from PubChem (CID 55823394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).