3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

C18H20N4O2 — CID 86803681

IUPAC3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCn1cccc1C1COCCN1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H20N4O2/c1-21-9-5-8-15(21)16-13-23-11-10-22(16)12-17-19-20-18(24-17)14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3
InChIKeyCCWRJRLCRKKLHQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds4

About 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 86803681) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID86803681
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCn1cccc1C1COCCN1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H20N4O2/c1-21-9-5-8-15(21)16-13-23-11-10-22(16)12-17-19-20-18(24-17)14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3
InChIKeyCCWRJRLCRKKLHQ-UHFFFAOYSA-N
XLogP2.65
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 129381721
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 86803812
(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631304
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631897
4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 86803831
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 91661825
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
CID 129430025
N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
CID 86803826
N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631648
N-(2-chlorophenyl)-2-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 86803809

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 86803681) is 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Cn1cccc1C1COCCN1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is CCWRJRLCRKKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-9-5-8-15(21)16-13-23-11-10-22(16)12-17-19-20-18(24-17)14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3.
What are the key properties of 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 324.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 86803681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).