2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C26H31FN6O5 — CID 3175006

IUPAC2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NCC3CCCO3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O5/c1-17-6-11-22(38-17)25-29-31-33(30-25)16-23(34)32(15-21-5-3-13-37-21)24(18-7-9-19(27)10-8-18)26(35)28-14-20-4-2-12-36-20/h6-11,20-21,24H,2-5,12-16H2,1H3,(H,28,35)
InChIKeyCXAOHDHPDYAOPF-UHFFFAOYSA-N
MW526.57 g/mol
LogP2.42
Rot. Bonds10

About 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3175006) has the molecular formula C26H31FN6O5 and a molecular weight of 526.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3175006
Molecular FormulaC26H31FN6O5
Molecular Weight526.57 g/mol
Exact Mass526.23
IUPAC Name2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NCC3CCCO3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O5/c1-17-6-11-22(38-17)25-29-31-33(30-25)16-23(34)32(15-21-5-3-13-37-21)24(18-7-9-19(27)10-8-18)26(35)28-14-20-4-2-12-36-20/h6-11,20-21,24H,2-5,12-16H2,1H3,(H,28,35)
InChIKeyCXAOHDHPDYAOPF-UHFFFAOYSA-N
XLogP2.42
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3175006) is 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NCC3CCCO3)c3ccc(F)cc3)n2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CXAOHDHPDYAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O5/c1-17-6-11-22(38-17)25-29-31-33(30-25)16-23(34)32(15-21-5-3-13-37-21)24(18-7-9-19(27)10-8-18)26(35)28-14-20-4-2-12-36-20/h6-11,20-21,24H,2-5,12-16H2,1H3,(H,28,35).
What are the key properties of 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 526.57 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3175006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).