N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide

C16H19N3O4 — CID 91785855

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCC(O)C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C16H19N3O4/c1-10-4-2-3-5-13(10)22-9-12(20)15(21)17-8-14-18-16(23-19-14)11-6-7-11/h2-5,11-12,20H,6-9H2,1H3,(H,17,21)
InChIKeyPZVUXPTWXVHQOY-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.31
Rot. Bonds7

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide (PubChem CID 91785855) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
PubChem CID91785855
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCC(O)C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C16H19N3O4/c1-10-4-2-3-5-13(10)22-9-12(20)15(21)17-8-14-18-16(23-19-14)11-6-7-11/h2-5,11-12,20H,6-9H2,1H3,(H,17,21)
InChIKeyPZVUXPTWXVHQOY-UHFFFAOYSA-N
XLogP1.31
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122557631
(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
CID 99936083
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
2-hydroxy-3-(2-methylphenoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 77092842
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 84596270
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
CID 167974510

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide (CID 91785855) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCC(O)C(=O)NCc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide?
The InChIKey is PZVUXPTWXVHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-4-2-3-5-13(10)22-9-12(20)15(21)17-8-14-18-16(23-19-14)11-6-7-11/h2-5,11-12,20H,6-9H2,1H3,(H,17,21).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide has a molecular weight of 317.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 91785855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).