1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine

C23H28FN5O2 — CID 3193712

IUPAC1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2
InChIKeyXZKBAIGDVBKDCM-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.29
Rot. Bonds8

About 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine

1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 3193712) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID3193712
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2
InChIKeyXZKBAIGDVBKDCM-UHFFFAOYSA-N
XLogP4.29
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine (CID 3193712) is 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine is Fc1ccc(C(c2nnnn2C2CCCC2)N(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is XZKBAIGDVBKDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2.
What are the key properties of 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine?
1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 425.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 3193712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).