ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate

C18H19N5O4 — CID 1262815

IUPACethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1
InChIInChI=1S/C18H19N5O4/c1-3-26-18(25)15-9-8-14(27-15)10-19-16(24)11-23-21-17(20-22-23)13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,24)
InChIKeyCFWIEALNHJCVDL-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.73
Rot. Bonds7

About ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate

ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate (PubChem CID 1262815) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
PubChem CID1262815
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Nameethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1
InChIInChI=1S/C18H19N5O4/c1-3-26-18(25)15-9-8-14(27-15)10-19-16(24)11-23-21-17(20-22-23)13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,24)
InChIKeyCFWIEALNHJCVDL-UHFFFAOYSA-N
XLogP1.73
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
CID 7987708
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate (CID 1262815) is ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1.
What is the InChIKey of ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate?
The InChIKey is CFWIEALNHJCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-3-26-18(25)15-9-8-14(27-15)10-19-16(24)11-23-21-17(20-22-23)13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,24).
What are the key properties of ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate?
ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 1262815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).