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

C24H22N4O5 — CID 166253912

IUPAC[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(Cc3noc(-c4ccc(C(=O)N5CCOCC5)cc4)n3)co2)cc1
InChIInChI=1S/C24H22N4O5/c1-30-20-8-6-16(7-9-20)22-25-19(15-32-22)14-21-26-23(33-27-21)17-2-4-18(5-3-17)24(29)28-10-12-31-13-11-28/h2-9,15H,10-14H2,1H3
InChIKeyNYIVDHXARIQZSO-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.46
Rot. Bonds6

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

[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 166253912) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID166253912
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(Cc3noc(-c4ccc(C(=O)N5CCOCC5)cc4)n3)co2)cc1
InChIInChI=1S/C24H22N4O5/c1-30-20-8-6-16(7-9-20)22-25-19(15-32-22)14-21-26-23(33-27-21)17-2-4-18(5-3-17)24(29)28-10-12-31-13-11-28/h2-9,15H,10-14H2,1H3
InChIKeyNYIVDHXARIQZSO-UHFFFAOYSA-N
XLogP3.46
TPSA103.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817892
N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]cyclobutanecarboxamide
CID 50817960
3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50826749
N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 46376822
3-[(2S)-butan-2-yl]-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 92895766
3-(2-ethoxyphenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828458
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120837076
3-(2,3-dimethylphenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828475
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 68613742

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 166253912) is [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ccc(-c2nc(Cc3noc(-c4ccc(C(=O)N5CCOCC5)cc4)n3)co2)cc1.
What is the InChIKey of [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NYIVDHXARIQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-30-20-8-6-16(7-9-20)22-25-19(15-32-22)14-21-26-23(33-27-21)17-2-4-18(5-3-17)24(29)28-10-12-31-13-11-28/h2-9,15H,10-14H2,1H3.
What are the key properties of [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 446.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166253912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).