methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate

C23H21FN6O5 — CID 68756389

IUPACmethyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)n1
InChIInChI=1S/C23H21FN6O5/c1-14-20(25-23(32)34-12-11-15-5-3-4-6-18(15)24)21(35-28-14)16-7-9-17(10-8-16)22-26-29-30(27-22)13-19(31)33-2/h3-10H,11-13H2,1-2H3,(H,25,32)
InChIKeyDNDCABSIRRPFGL-UHFFFAOYSA-N
MW480.46 g/mol
LogP3.41
Rot. Bonds8

About methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate

methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate (PubChem CID 68756389) has the molecular formula C23H21FN6O5 and a molecular weight of 480.46 g/mol. Its IUPAC name is methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate
PubChem CID68756389
Molecular FormulaC23H21FN6O5
Molecular Weight480.46 g/mol
Exact Mass480.16
IUPAC Namemethyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)n1
InChIInChI=1S/C23H21FN6O5/c1-14-20(25-23(32)34-12-11-15-5-3-4-6-18(15)24)21(35-28-14)16-7-9-17(10-8-16)22-26-29-30(27-22)13-19(31)33-2/h3-10H,11-13H2,1-2H3,(H,25,32)
InChIKeyDNDCABSIRRPFGL-UHFFFAOYSA-N
XLogP3.41
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate (CID 68756389) is methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate is COC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)n1.
What is the InChIKey of methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate?
The InChIKey is DNDCABSIRRPFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O5/c1-14-20(25-23(32)34-12-11-15-5-3-4-6-18(15)24)21(35-28-14)16-7-9-17(10-8-16)22-26-29-30(27-22)13-19(31)33-2/h3-10H,11-13H2,1-2H3,(H,25,32).
What are the key properties of methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate?
methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate has a molecular weight of 480.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 68756389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).