1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H15N5O2 — CID 113435625

IUPAC1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccnn2C)n1
InChIInChI=1S/C10H15N5O2/c1-10(11,6-16-3)9-13-8(17-14-9)7-4-5-12-15(7)2/h4-5H,6,11H2,1-3H3
InChIKeyMFBCKCGNCQYJHE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.29
Rot. Bonds4

About 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 113435625) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID113435625
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccnn2C)n1
InChIInChI=1S/C10H15N5O2/c1-10(11,6-16-3)9-13-8(17-14-9)7-4-5-12-15(7)2/h4-5H,6,11H2,1-3H3
InChIKeyMFBCKCGNCQYJHE-UHFFFAOYSA-N
XLogP0.29
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62920645
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594
1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105064395
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361
2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
1-methoxy-2-[5-(2-methyl-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636560
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636331
2-[5-(3-fluoro-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636511

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 113435625) is 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COCC(C)(N)c1noc(-c2ccnn2C)n1.
What is the InChIKey of 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is MFBCKCGNCQYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(11,6-16-3)9-13-8(17-14-9)7-4-5-12-15(7)2/h4-5H,6,11H2,1-3H3.
What are the key properties of 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 237.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 113435625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).