[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

C17H15N5O5 — CID 55460162

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H15N5O5/c1-11-4-6-12(7-5-11)16-19-21-22(20-16)9-15(24)27-10-14(23)18-17(25)13-3-2-8-26-13/h2-8H,9-10H2,1H3,(H,18,23,25)
InChIKeyYOBRIRGBTVIBCB-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.74
Rot. Bonds6

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (PubChem CID 55460162) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
PubChem CID55460162
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H15N5O5/c1-11-4-6-12(7-5-11)16-19-21-22(20-16)9-15(24)27-10-14(23)18-17(25)13-3-2-8-26-13/h2-8H,9-10H2,1H3,(H,18,23,25)
InChIKeyYOBRIRGBTVIBCB-UHFFFAOYSA-N
XLogP0.74
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825635
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825534
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825640
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (CID 55460162) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is Cc1ccc(-c2nnn(CC(=O)OCC(=O)NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The InChIKey is YOBRIRGBTVIBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c1-11-4-6-12(7-5-11)16-19-21-22(20-16)9-15(24)27-10-14(23)18-17(25)13-3-2-8-26-13/h2-8H,9-10H2,1H3,(H,18,23,25).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate has a molecular weight of 369.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 55460162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).