5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine

C8H9N3O — CID 82467912

IUPAC5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
SMILESCn1ccc(-c2cc(N)no2)c1
InChIInChI=1S/C8H9N3O/c1-11-3-2-6(5-11)7-4-8(9)10-12-7/h2-5H,1H3,(H2,9,10)
InChIKeyWLJWXPXLCDAQJL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.26
Rot. Bonds1

About 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine

5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine (PubChem CID 82467912) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
PubChem CID82467912
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
SMILESCn1ccc(-c2cc(N)no2)c1
InChIInChI=1S/C8H9N3O/c1-11-3-2-6(5-11)7-4-8(9)10-12-7/h2-5H,1H3,(H2,9,10)
InChIKeyWLJWXPXLCDAQJL-UHFFFAOYSA-N
XLogP1.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
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5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-(1-methylpyrrol-3-yl)-3-(piperazin-1-ylmethyl)-1,2-oxazole
CID 82295337
5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823937
5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
5-(3-chloro-1-methylindazol-5-yl)-1,2-oxazol-3-amine
CID 117374897
5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199808
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326392

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine (CID 82467912) is 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine is Cn1ccc(-c2cc(N)no2)c1.
What is the InChIKey of 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine?
The InChIKey is WLJWXPXLCDAQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-3-2-6(5-11)7-4-8(9)10-12-7/h2-5H,1H3,(H2,9,10).
What are the key properties of 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine?
5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine has a molecular weight of 163.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82467912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).