2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone

C14H17N5O3 — CID 970561

IUPAC2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O3/c1-21-12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3
InChIKeyUADCFLQVMSLGQK-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.21
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone

2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 970561) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID970561
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O3/c1-21-12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3
InChIKeyUADCFLQVMSLGQK-UHFFFAOYSA-N
XLogP0.21
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone (CID 970561) is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is UADCFLQVMSLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 303.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).