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

C20H21N5O3 — CID 655883

IUPAC2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)20-21-23-25(22-20)14-19(26)24-10-12-28-13-11-24/h2-9H,10-14H2,1H3
InChIKeyUMOZYMVRVUNZME-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.87
Rot. Bonds5

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

2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 655883) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID655883
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)20-21-23-25(22-20)14-19(26)24-10-12-28-13-11-24/h2-9H,10-14H2,1H3
InChIKeyUMOZYMVRVUNZME-UHFFFAOYSA-N
XLogP1.87
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
2-[5-(4-Isobutoxy-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
CID 650932
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}morpholine
CID 970561
4-[(5-{4-[(2-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetyl]morpholine
CID 1296610
2-[5-(4-Ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3171709
N-Allyl-2-[5-(4'-methoxy-biphenyl-4-yl)-tetrazol-2-yl]-acetamide
CID 3844389
2-[5-(3-Methoxy-phenyl)-tetrazol-2-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 860162
1-Piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
1-{[5-(3-ethoxy-4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}piperidine
CID 6472290
3-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-1-morpholin-4-yl-propan-1-one
CID 646347
N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 862265

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone (CID 655883) is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2ccc(-c3nnn(CC(=O)N4CCOCC4)n3)cc2)cc1.
What is the InChIKey of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is UMOZYMVRVUNZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)20-21-23-25(22-20)14-19(26)24-10-12-28-13-11-24/h2-9H,10-14H2,1H3.
What are the key properties of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 379.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).