3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one

C18H27N3O4 — CID 56900023

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOCC1CC(=O)N1CCCC1
InChIInChI=1S/C18H27N3O4/c1-13-16(14(2)25-19-13)5-6-17(22)21-9-10-24-12-15(21)11-18(23)20-7-3-4-8-20/h15H,3-12H2,1-2H3
InChIKeyZRTHBPNCVXTTST-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.46
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 56900023) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID56900023
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOCC1CC(=O)N1CCCC1
InChIInChI=1S/C18H27N3O4/c1-13-16(14(2)25-19-13)5-6-17(22)21-9-10-24-12-15(21)11-18(23)20-7-3-4-8-20/h15H,3-12H2,1-2H3
InChIKeyZRTHBPNCVXTTST-UHFFFAOYSA-N
XLogP1.46
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
1-(4-Acetylpiperazin-1-yl)-3-(3,5-dimethylisoxazol-4-yl)propan-1-one
CID 39910548
3-(3,5-Dimethylisoxazol-4-yl)-1-(4-(5-isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)propan-1-one
CID 45540258
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 51073428
(3R*,4R*)-1-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]-3,4-dimethylpyrrolidin-3-ol
CID 70754765
2-[(3aR,7S,7aS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(oxazinan-2-yl)ethanone
CID 97380003
[(3aR,7R,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97387620
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide
CID 45242609
3-{4-[3-(3,5-Dimethyl-4-isoxazolyl)propanoyl]-1,4-diazepan-1-yl}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 71687206
3-(3,5-Dimethylisoxazol-4-yl)-1-(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)propan-1-one
CID 71801354
3-(3,5-Dimethylisoxazol-4-yl)-1-(3-(morpholinomethyl)-1,4-thiazepan-4-yl)propan-1-one
CID 71801843
[1-[3-(3,5-Dimethyl-4-isoxazolyl)propanoyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72900180

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one (CID 56900023) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCOCC1CC(=O)N1CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is ZRTHBPNCVXTTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-16(14(2)25-19-13)5-6-17(22)21-9-10-24-12-15(21)11-18(23)20-7-3-4-8-20/h15H,3-12H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).