[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate

C24H22FN5O5 — CID 58539675

IUPAC[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3CC(=O)O[C@H](C)c3ccccc3F)cc2)n1
InChIInChI=1S/C24H22FN5O5/c1-14-19(12-21(31)34-15(2)18-6-4-5-7-20(18)25)23(35-28-14)16-8-10-17(11-9-16)24-26-29-30(27-24)13-22(32)33-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyJHJBHDGEHYUSJY-OAHLLOKOSA-N
MW479.47 g/mol
LogP3.46
Rot. Bonds8

About [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate

[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate (PubChem CID 58539675) has the molecular formula C24H22FN5O5 and a molecular weight of 479.47 g/mol. Its IUPAC name is [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate.

Molecular Properties

Compound Name[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate
PubChem CID58539675
Molecular FormulaC24H22FN5O5
Molecular Weight479.47 g/mol
Exact Mass479.16
IUPAC Name[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3CC(=O)O[C@H](C)c3ccccc3F)cc2)n1
InChIInChI=1S/C24H22FN5O5/c1-14-19(12-21(31)34-15(2)18-6-4-5-7-20(18)25)23(35-28-14)16-8-10-17(11-9-16)24-26-29-30(27-24)13-22(32)33-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyJHJBHDGEHYUSJY-OAHLLOKOSA-N
XLogP3.46
TPSA122.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazole-5-carboxylate
CID 44210001
2-[5-[4-[4-[2-[(1R)-1-(2-fluorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 58539343
[(1R)-1-(2-fluorophenyl)ethyl] 2-[3-methyl-5-[4-[4-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]-1,2-oxazol-4-yl]acetate
CID 58539447
[(1R)-1-(2-fluorophenyl)ethyl] 2-[3-methyl-5-[4-(2H-tetrazol-5-yl)phenyl]-1,2-oxazol-4-yl]acetate
CID 58539570
methyl 2-[5-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]tetrazol-2-yl]acetate
CID 66964893
Methyl 2-[5-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate
CID 68756389
[5-(4-{4-[(R)-1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-tetrazol-2-yl]-acetic acid methyl ester
CID 68782994
2-[5-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 68783812
Methyl 2-[5-[4-[4-[1-(2-fluorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]tetrazol-2-yl]acetate
CID 77212378
Methyl 2-[5-[4-[4-[1-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetate
CID 77553066
2-[5-[4-[4-[1-(2-Fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 77553171
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate?
The IUPAC name of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate (CID 58539675) is [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate.
What is the SMILES notation for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate?
The canonical SMILES for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate is COC(=O)Cn1nnc(-c2ccc(-c3onc(C)c3CC(=O)O[C@H](C)c3ccccc3F)cc2)n1.
What is the InChIKey of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate?
The InChIKey is JHJBHDGEHYUSJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22FN5O5/c1-14-19(12-21(31)34-15(2)18-6-4-5-7-20(18)25)23(35-28-14)16-8-10-17(11-9-16)24-26-29-30(27-24)13-22(32)33-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate?
[(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate has a molecular weight of 479.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-fluorophenyl)ethyl] 2-[5-[4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]acetate is sourced from PubChem (CID 58539675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).