2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole

C13H18N6O — CID 146139256

IUPAC2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1coc(C2CCN(Cc3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C13H18N6O/c1-2-11(1)19-12(15-16-17-19)9-18-6-3-10(4-7-18)13-14-5-8-20-13/h5,8,10-11H,1-4,6-7,9H2
InChIKeyIFNCEIHOJOGJPK-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.38
Rot. Bonds4

About 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole

2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole (PubChem CID 146139256) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole
PubChem CID146139256
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1coc(C2CCN(Cc3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C13H18N6O/c1-2-11(1)19-12(15-16-17-19)9-18-6-3-10(4-7-18)13-14-5-8-20-13/h5,8,10-11H,1-4,6-7,9H2
InChIKeyIFNCEIHOJOGJPK-UHFFFAOYSA-N
XLogP1.38
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole (CID 146139256) is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole is c1coc(C2CCN(Cc3nnnn3C3CC3)CC2)n1.
What is the InChIKey of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The InChIKey is IFNCEIHOJOGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-11(1)19-12(15-16-17-19)9-18-6-3-10(4-7-18)13-14-5-8-20-13/h5,8,10-11H,1-4,6-7,9H2.
What are the key properties of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole?
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole has a molecular weight of 274.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 146139256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).