2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C15H21N5O — CID 146139036

IUPAC2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC(n3cc(C4CC4)nn3)C2)oc1C
InChIInChI=1S/C15H21N5O/c1-10-11(2)21-15(16-10)9-19-6-5-13(7-19)20-8-14(17-18-20)12-3-4-12/h8,12-13H,3-7,9H2,1-2H3
InChIKeyIZTNREYDIGCZIL-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.21
Rot. Bonds4

About 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 146139036) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID146139036
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC(n3cc(C4CC4)nn3)C2)oc1C
InChIInChI=1S/C15H21N5O/c1-10-11(2)21-15(16-10)9-19-6-5-13(7-19)20-8-14(17-18-20)12-3-4-12/h8,12-13H,3-7,9H2,1-2H3
InChIKeyIZTNREYDIGCZIL-UHFFFAOYSA-N
XLogP2.21
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 146139036) is 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCC(n3cc(C4CC4)nn3)C2)oc1C.
What is the InChIKey of 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is IZTNREYDIGCZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-11(2)21-15(16-10)9-19-6-5-13(7-19)20-8-14(17-18-20)12-3-4-12/h8,12-13H,3-7,9H2,1-2H3.
What are the key properties of 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 287.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 146139036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).