3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole

C11H14N4O2 — CID 114282546

IUPAC3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(CC3CCNC3)n2)co1
InChIInChI=1S/C11H14N4O2/c1-7-13-9(6-16-7)11-14-10(17-15-11)4-8-2-3-12-5-8/h6,8,12H,2-5H2,1H3
InChIKeyHJVMNGXZTAPEKN-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole

3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 114282546) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID114282546
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(CC3CCNC3)n2)co1
InChIInChI=1S/C11H14N4O2/c1-7-13-9(6-16-7)11-14-10(17-15-11)4-8-2-3-12-5-8/h6,8,12H,2-5H2,1H3
InChIKeyHJVMNGXZTAPEKN-UHFFFAOYSA-N
XLogP1.19
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120838758
N,N-dimethyl-1-[4-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120842104
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 130517495
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
CID 83484491
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275
5-[[(3S)-pyrrolidin-3-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 167757820
5-(azetidin-3-ylmethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 64611874
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole (CID 114282546) is 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole is Cc1nc(-c2noc(CC3CCNC3)n2)co1.
What is the InChIKey of 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is HJVMNGXZTAPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-13-9(6-16-7)11-14-10(17-15-11)4-8-2-3-12-5-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole?
3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 234.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 114282546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).