N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide

C18H22N4O3 — CID 118773460

IUPACN-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1ccc(-c2ncon2)cc1
InChIInChI=1S/C18H22N4O3/c23-16(9-11-22-10-3-1-2-4-17(22)24)19-12-14-5-7-15(8-6-14)18-20-13-25-21-18/h5-8,13H,1-4,9-12H2,(H,19,23)
InChIKeyRKIWVRMWQPIGTC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.15
Rot. Bonds6

About N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide

N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 118773460) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID118773460
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1ccc(-c2ncon2)cc1
InChIInChI=1S/C18H22N4O3/c23-16(9-11-22-10-3-1-2-4-17(22)24)19-12-14-5-7-15(8-6-14)18-20-13-25-21-18/h5-8,13H,1-4,9-12H2,(H,19,23)
InChIKeyRKIWVRMWQPIGTC-UHFFFAOYSA-N
XLogP2.15
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
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N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
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3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
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3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 118773460) is N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide is O=C(CCN1CCCCCC1=O)NCc1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is RKIWVRMWQPIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16(9-11-22-10-3-1-2-4-17(22)24)19-12-14-5-7-15(8-6-14)18-20-13-25-21-18/h5-8,13H,1-4,9-12H2,(H,19,23).
What are the key properties of N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 118773460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).