4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one

C20H25FN4O4 — CID 135106296

IUPAC4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1=O
InChIInChI=1S/C20H25FN4O4/c1-5-8-24-9-10-25(12-16(24)26)20(27)17-18(29-22-19(17)23(2)3)13-6-7-14(21)15(11-13)28-4/h6-7,11H,5,8-10,12H2,1-4H3
InChIKeyQBLYJRNORVPAFF-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.25
Rot. Bonds6

About 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one

4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one (PubChem CID 135106296) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one
PubChem CID135106296
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1=O
InChIInChI=1S/C20H25FN4O4/c1-5-8-24-9-10-25(12-16(24)26)20(27)17-18(29-22-19(17)23(2)3)13-6-7-14(21)15(11-13)28-4/h6-7,11H,5,8-10,12H2,1-4H3
InChIKeyQBLYJRNORVPAFF-UHFFFAOYSA-N
XLogP2.25
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 135108537
[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 135109651
[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 135119760
3-(dimethylamino)-N-ethyl-5-(4-fluoro-3-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108212
2,7-diazaspiro[4.5]decan-7-yl-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone;hydrochloride
CID 154916045
3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135093405
3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135090287
5-(4-fluoro-3-methoxyphenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,2-oxazole-4-carboxylic acid
CID 135115467
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxybutyl)-1,2-oxazole-4-carboxamide
CID 135117414
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135091896
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(3-methoxybutyl)-1,2-oxazole-4-carboxamide
CID 135107775
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135097903

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one?
The IUPAC name of 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one (CID 135106296) is 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one?
The canonical SMILES for 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one is CCCN1CCN(C(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)CC1=O.
What is the InChIKey of 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one?
The InChIKey is QBLYJRNORVPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-5-8-24-9-10-25(12-16(24)26)20(27)17-18(29-22-19(17)23(2)3)13-6-7-14(21)15(11-13)28-4/h6-7,11H,5,8-10,12H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one?
4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one has a molecular weight of 404.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one is sourced from PubChem (CID 135106296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).