[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone

C20H23N5O4 — CID 157016662

IUPAC[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCOC(c4nnnn4C)C3)oc2C)cc1
InChIInChI=1S/C20H23N5O4/c1-13-4-6-16(7-5-13)28-12-15-10-17(29-14(15)2)20(26)25-8-9-27-18(11-25)19-21-22-23-24(19)3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKeyXIMVPEYGAGOOSG-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.21
Rot. Bonds5

About [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone

[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 157016662) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID157016662
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCOC(c4nnnn4C)C3)oc2C)cc1
InChIInChI=1S/C20H23N5O4/c1-13-4-6-16(7-5-13)28-12-15-10-17(29-14(15)2)20(26)25-8-9-27-18(11-25)19-21-22-23-24(19)3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKeyXIMVPEYGAGOOSG-UHFFFAOYSA-N
XLogP2.21
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 163317511
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
(1S,5R)-7-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-carbonyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157019557
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 157013076
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157012991
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone (CID 157016662) is [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone is Cc1ccc(OCc2cc(C(=O)N3CCOC(c4nnnn4C)C3)oc2C)cc1.
What is the InChIKey of [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is XIMVPEYGAGOOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-13-4-6-16(7-5-13)28-12-15-10-17(29-14(15)2)20(26)25-8-9-27-18(11-25)19-21-22-23-24(19)3/h4-7,10,18H,8-9,11-12H2,1-3H3.
What are the key properties of [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 397.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 157016662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).