[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C17H25N3O4 — CID 110625802

IUPAC[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O4/c1-11(2)15-14(12(3)18-24-15)17(22)20-6-4-5-13(20)16(21)19-7-9-23-10-8-19/h11,13H,4-10H2,1-3H3
InChIKeyYQBRHNLCABALAT-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.57
Rot. Bonds3

About [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110625802) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110625802
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O4/c1-11(2)15-14(12(3)18-24-15)17(22)20-6-4-5-13(20)16(21)19-7-9-23-10-8-19/h11,13H,4-10H2,1-3H3
InChIKeyYQBRHNLCABALAT-UHFFFAOYSA-N
XLogP1.57
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
CID 114421398
(4-methoxy-3-methylphenyl)-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 110607720
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95352842
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
(2,6-dimethylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110675292
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004383
2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
CID 95292316

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110625802) is [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1noc(C(C)C)c1C(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YQBRHNLCABALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(2)15-14(12(3)18-24-15)17(22)20-6-4-5-13(20)16(21)19-7-9-23-10-8-19/h11,13H,4-10H2,1-3H3.
What are the key properties of [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 335.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110625802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).