N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide

C16H20N4O3 — CID 119419525

IUPACN-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1N
InChIInChI=1S/C16H20N4O3/c1-22-13-8-7-11(9-12(13)17)18-14(21)3-2-4-15-19-16(20-23-15)10-5-6-10/h7-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyHMNZCLQPVIDQET-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.50
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119419525) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119419525
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1N
InChIInChI=1S/C16H20N4O3/c1-22-13-8-7-11(9-12(13)17)18-14(21)3-2-4-15-19-16(20-23-15)10-5-6-10/h7-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyHMNZCLQPVIDQET-UHFFFAOYSA-N
XLogP2.50
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
CID 119224703
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxyphenyl)butanamide
CID 46263763
4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 46263757
N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
CID 119419889

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide (CID 119419525) is N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide is COc1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is HMNZCLQPVIDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-13-8-7-11(9-12(13)17)18-14(21)3-2-4-15-19-16(20-23-15)10-5-6-10/h7-10H,2-6,17H2,1H3,(H,18,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 316.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119419525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).