(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate

C17H17N5O4 — CID 8578938

IUPAC(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCCCn1nnnc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C17H17N5O4/c1-2-9-22-15(19-20-21-22)11-26-17(24)12-6-3-4-7-13(12)18-16(23)14-8-5-10-25-14/h3-8,10H,2,9,11H2,1H3,(H,18,23)
InChIKeyLDIIOENRNIJZSU-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.29
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate

(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 8578938) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
PubChem CID8578938
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCCCn1nnnc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C17H17N5O4/c1-2-9-22-15(19-20-21-22)11-26-17(24)12-6-3-4-7-13(12)18-16(23)14-8-5-10-25-14/h3-8,10H,2,9,11H2,1H3,(H,18,23)
InChIKeyLDIIOENRNIJZSU-UHFFFAOYSA-N
XLogP2.29
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 27027535
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate
CID 56783751
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
CID 9139702

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate (CID 8578938) is (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate is CCCn1nnnc1COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is LDIIOENRNIJZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-2-9-22-15(19-20-21-22)11-26-17(24)12-6-3-4-7-13(12)18-16(23)14-8-5-10-25-14/h3-8,10H,2,9,11H2,1H3,(H,18,23).
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate?
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 355.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8578938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).