[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone

C23H31N3O4 — CID 11858136

IUPAC[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(OCCCN3CCCC3C)cc2)oc1C(=O)N1CCOCC1
InChIInChI=1S/C23H31N3O4/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyQOYSQXXMGPDHBK-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.38
Rot. Bonds7

About [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone

[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 11858136) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID11858136
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(OCCCN3CCCC3C)cc2)oc1C(=O)N1CCOCC1
InChIInChI=1S/C23H31N3O4/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyQOYSQXXMGPDHBK-UHFFFAOYSA-N
XLogP3.38
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;dihydrate
CID 142763044
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone
CID 68500099
[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 74819977
[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone
CID 59143744
(4,4-difluoropiperidin-1-yl)-[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanone
CID 68501078
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
2-[4-[4-(2-methylpiperidin-1-yl)butoxy]phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 11857748
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 58186900
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71622302
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone (CID 11858136) is [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone is Cc1nc(-c2ccc(OCCCN3CCCC3C)cc2)oc1C(=O)N1CCOCC1.
What is the InChIKey of [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is QOYSQXXMGPDHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3.
What are the key properties of [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone?
[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 413.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11858136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).