3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C12H15N3O2 — CID 50793956

IUPAC3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NC(C)C)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyKCXHUXSOZKJFRZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 50793956) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID50793956
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NC(C)C)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyKCXHUXSOZKJFRZ-UHFFFAOYSA-N
XLogP2.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 10014953
N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 866890
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
N-cyclopentyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1848627
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3710985
N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15992673
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(Z)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369026
N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-dimethylpropanamide
CID 1258023
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2988979

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 50793956) is 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(NC(C)C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is KCXHUXSOZKJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 233.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 50793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).