[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate

C20H20N4O4 — CID 1150139

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-14-3-5-16(6-4-14)20-21-23-24(22-20)12-11-19(26)28-13-18(25)15-7-9-17(27-2)10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyXZEUKBJLHXLBIT-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.47
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate (PubChem CID 1150139) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
PubChem CID1150139
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-14-3-5-16(6-4-14)20-21-23-24(22-20)12-11-19(26)28-13-18(25)15-7-9-17(27-2)10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyXZEUKBJLHXLBIT-UHFFFAOYSA-N
XLogP2.47
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 1150140
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
CID 1150142
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(5-thiophen-2-yltetrazol-2-yl)propanoate
CID 653826
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 168853047
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate (CID 1150139) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate is COc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The InChIKey is XZEUKBJLHXLBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14-3-5-16(6-4-14)20-21-23-24(22-20)12-11-19(26)28-13-18(25)15-7-9-17(27-2)10-8-15/h3-10H,11-13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate has a molecular weight of 380.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate is sourced from PubChem (CID 1150139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).