5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C23H31N7O3 — CID 77143427

IUPAC5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(OCCC2CC2C2CCN(c3nc(C(C)C)no3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C23H31N7O3/c1-15(2)22-25-23(33-26-22)29-9-6-16(7-10-29)19-12-17(19)8-11-32-18-4-5-20(21(13-18)31-3)30-14-24-27-28-30/h4-5,13-17,19H,6-12H2,1-3H3
InChIKeyMLLJMVJEIIFUIM-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.50
Rot. Bonds9

About 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 77143427) has the molecular formula C23H31N7O3 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID77143427
Molecular FormulaC23H31N7O3
Molecular Weight453.55 g/mol
Exact Mass453.25
IUPAC Name5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(OCCC2CC2C2CCN(c3nc(C(C)C)no3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C23H31N7O3/c1-15(2)22-25-23(33-26-22)29-9-6-16(7-10-29)19-12-17(19)8-11-32-18-4-5-20(21(13-18)31-3)30-14-24-27-28-30/h4-5,13-17,19H,6-12H2,1-3H3
InChIKeyMLLJMVJEIIFUIM-UHFFFAOYSA-N
XLogP3.50
TPSA104.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 77143427) is 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1cc(OCCC2CC2C2CCN(c3nc(C(C)C)no3)CC2)ccc1-n1cnnn1.
What is the InChIKey of 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MLLJMVJEIIFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3/c1-15(2)22-25-23(33-26-22)29-9-6-16(7-10-29)19-12-17(19)8-11-32-18-4-5-20(21(13-18)31-3)30-14-24-27-28-30/h4-5,13-17,19H,6-12H2,1-3H3.
What are the key properties of 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 453.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 77143427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).