N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C14H22N4O3 — CID 95126957

IUPACN-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H]2CCCCNC2=O)n1
InChIInChI=1S/C14H22N4O3/c1-2-5-11-17-13(21-18-11)8-7-12(19)16-10-6-3-4-9-15-14(10)20/h10H,2-9H2,1H3,(H,15,20)(H,16,19)/t10-/m1/s1
InChIKeyWZZKBUIJTNJGOD-SNVBAGLBSA-N
MW294.35 g/mol
LogP0.74
Rot. Bonds6

About N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 95126957) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID95126957
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H]2CCCCNC2=O)n1
InChIInChI=1S/C14H22N4O3/c1-2-5-11-17-13(21-18-11)8-7-12(19)16-10-6-3-4-9-15-14(10)20/h10H,2-9H2,1H3,(H,15,20)(H,16,19)/t10-/m1/s1
InChIKeyWZZKBUIJTNJGOD-SNVBAGLBSA-N
XLogP0.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxoazepan-3-yl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75414800
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 124742438
N-[2-(hydroxymethyl)cyclopentyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103774119
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547105
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
CID 47031038
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 95126957) is N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N[C@@H]2CCCCNC2=O)n1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WZZKBUIJTNJGOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-5-11-17-13(21-18-11)8-7-12(19)16-10-6-3-4-9-15-14(10)20/h10H,2-9H2,1H3,(H,15,20)(H,16,19)/t10-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 95126957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).