1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C10H12N4O2 — CID 120861396

IUPAC1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ocnc1-c1nc(C2(N)CCC2)no1
InChIInChI=1S/C10H12N4O2/c1-6-7(12-5-15-6)8-13-9(14-16-8)10(11)3-2-4-10/h5H,2-4,11H2,1H3
InChIKeyIEHWHLRNFSQDKR-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.37
Rot. Bonds2

About 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861396) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861396
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ocnc1-c1nc(C2(N)CCC2)no1
InChIInChI=1S/C10H12N4O2/c1-6-7(12-5-15-6)8-13-9(14-16-8)10(11)3-2-4-10/h5H,2-4,11H2,1H3
InChIKeyIEHWHLRNFSQDKR-UHFFFAOYSA-N
XLogP1.37
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-ethyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859912
1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853645
1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860005
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863161
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851440
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861396) is 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ocnc1-c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is IEHWHLRNFSQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-7(12-5-15-6)8-13-9(14-16-8)10(11)3-2-4-10/h5H,2-4,11H2,1H3.
What are the key properties of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 220.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).