2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate

C15H19N5O3 — CID 58740461

IUPAC2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
SMILESCn1nnnc1-c1ccc(C(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C15H19N5O3/c1-19-14(16-17-18-19)12-2-4-13(5-3-12)15(21)23-11-8-20-6-9-22-10-7-20/h2-5H,6-11H2,1H3
InChIKeyANTZJLRDBBHMQT-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.37
Rot. Bonds5

About 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate

2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate (PubChem CID 58740461) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
PubChem CID58740461
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
SMILESCn1nnnc1-c1ccc(C(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C15H19N5O3/c1-19-14(16-17-18-19)12-2-4-13(5-3-12)15(21)23-11-8-20-6-9-22-10-7-20/h2-5H,6-11H2,1H3
InChIKeyANTZJLRDBBHMQT-UHFFFAOYSA-N
XLogP0.37
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate (CID 58740461) is 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate is Cn1nnnc1-c1ccc(C(=O)OCCN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
The InChIKey is ANTZJLRDBBHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19-14(16-17-18-19)12-2-4-13(5-3-12)15(21)23-11-8-20-6-9-22-10-7-20/h2-5H,6-11H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate?
2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate has a molecular weight of 317.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate is sourced from PubChem (CID 58740461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).