propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate

C19H21N5O4 — CID 55424266

IUPACpropan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C)Cc3ccco3)n2)c1
InChIInChI=1S/C19H21N5O4/c1-13(2)28-19(26)15-7-4-6-14(10-15)18-20-22-24(21-18)12-17(25)23(3)11-16-8-5-9-27-16/h4-10,13H,11-12H2,1-3H3
InChIKeyJDOFXLCQLDKBDV-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.16
Rot. Bonds7

About propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate

propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate (PubChem CID 55424266) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
PubChem CID55424266
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Namepropan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C)Cc3ccco3)n2)c1
InChIInChI=1S/C19H21N5O4/c1-13(2)28-19(26)15-7-4-6-14(10-15)18-20-22-24(21-18)12-17(25)23(3)11-16-8-5-9-27-16/h4-10,13H,11-12H2,1-3H3
InChIKeyJDOFXLCQLDKBDV-UHFFFAOYSA-N
XLogP2.16
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
CID 51227103
propan-2-yl 3-[2-(cyanomethyl)tetrazol-5-yl]benzoate
CID 47119752
propan-2-yl 3-[2-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]tetrazol-5-yl]benzoate
CID 55469753
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
propan-2-yl 3-[2-[2-(butylcarbamoylamino)-2-oxoethyl]tetrazol-5-yl]benzoate
CID 55412602
propan-2-yl 3-[2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]tetrazol-5-yl]benzoate
CID 134005962
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylbutyl)pentanamide
CID 3179455
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 51174124
propan-2-yl 3-[2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]tetrazol-5-yl]benzoate
CID 55412343
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 46978123

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The IUPAC name of propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate (CID 55424266) is propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate.
What is the SMILES notation for propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The canonical SMILES for propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate is CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C)Cc3ccco3)n2)c1.
What is the InChIKey of propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The InChIKey is JDOFXLCQLDKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-13(2)28-19(26)15-7-4-6-14(10-15)18-20-22-24(21-18)12-17(25)23(3)11-16-8-5-9-27-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate has a molecular weight of 383.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate is sourced from PubChem (CID 55424266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).