3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

C20H27FN4O3 — CID 135093405

IUPAC3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)C1
InChIInChI=1S/C20H27FN4O3/c1-5-25-10-6-7-14(12-25)22-20(26)17-18(28-23-19(17)24(2)3)13-8-9-15(21)16(11-13)27-4/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,22,26)
InChIKeyJVOMWIQRKAJWOV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.77
Rot. Bonds6

About 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 135093405) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID135093405
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)C1
InChIInChI=1S/C20H27FN4O3/c1-5-25-10-6-7-14(12-25)22-20(26)17-18(28-23-19(17)24(2)3)13-8-9-15(21)16(11-13)27-4/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,22,26)
InChIKeyJVOMWIQRKAJWOV-UHFFFAOYSA-N
XLogP2.77
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
CID 135107726
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(3R,4S)-3-methoxyoxan-4-yl]-1,2-oxazole-4-carboxamide
CID 135116362
3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135090287
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-(3-methoxybutyl)-1,2-oxazole-4-carboxamide
CID 135107775
3-(dimethylamino)-N-ethyl-5-(4-fluoro-3-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108212
[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 135109651
3-(dimethylamino)-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135116547
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-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135091896
(3,3-diethylpyrrolidin-1-yl)-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 135108537
3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135113795

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (CID 135093405) is 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is CCN1CCCC(NC(=O)c2c(N(C)C)noc2-c2ccc(F)c(OC)c2)C1.
What is the InChIKey of 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JVOMWIQRKAJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-5-25-10-6-7-14(12-25)22-20(26)17-18(28-23-19(17)24(2)3)13-8-9-15(21)16(11-13)27-4/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,22,26).
What are the key properties of 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135093405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).