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

C15H19N3O3 — CID 64795052

IUPACN-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ccc(CO)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-2-3-13-17-15(21-18-13)9-8-14(20)16-12-6-4-11(10-19)5-7-12/h4-7,19H,2-3,8-10H2,1H3,(H,16,20)
InChIKeyXBKOZTHIFKJNJQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.09
Rot. Bonds7

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

N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 64795052) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID64795052
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2ccc(CO)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-2-3-13-17-15(21-18-13)9-8-14(20)16-12-6-4-11(10-19)5-7-12/h4-7,19H,2-3,8-10H2,1H3,(H,16,20)
InChIKeyXBKOZTHIFKJNJQ-UHFFFAOYSA-N
XLogP2.09
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
CID 39678269
N-(4-ethylphenyl)-3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50801231
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24688222
N-(5-ethyl-1H-pyrazol-3-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115593804
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 64795052) is N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)Nc2ccc(CO)cc2)n1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XBKOZTHIFKJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-13-17-15(21-18-13)9-8-14(20)16-12-6-4-11(10-19)5-7-12/h4-7,19H,2-3,8-10H2,1H3,(H,16,20).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 64795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).