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

C18H23FN4O4 — CID 135113795

IUPAC3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NC(C)C(=O)N(C)C)ccc1F
InChIInChI=1S/C18H23FN4O4/c1-10(18(25)23(4)5)20-17(24)14-15(27-21-16(14)22(2)3)11-7-8-12(19)13(9-11)26-6/h7-10H,1-6H3,(H,20,24)
InChIKeyODRIXYVRJCPHQO-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.76
Rot. Bonds6

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

3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 135113795) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID135113795
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NC(C)C(=O)N(C)C)ccc1F
InChIInChI=1S/C18H23FN4O4/c1-10(18(25)23(4)5)20-17(24)14-15(27-21-16(14)22(2)3)11-7-8-12(19)13(9-11)26-6/h7-10H,1-6H3,(H,20,24)
InChIKeyODRIXYVRJCPHQO-UHFFFAOYSA-N
XLogP1.76
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135116547
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(3-methoxybutyl)-1,2-oxazole-4-carboxamide
CID 135107775
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-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide
CID 135097193
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxybutyl)-1,2-oxazole-4-carboxamide
CID 135117414
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)-N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
CID 135107726
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135097903
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-[(3R,4S)-3-methoxyoxan-4-yl]-1,2-oxazole-4-carboxamide
CID 135116362
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135088759
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 135097884

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide (CID 135113795) is 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NC(C)C(=O)N(C)C)ccc1F.
What is the InChIKey of 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ODRIXYVRJCPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-10(18(25)23(4)5)20-17(24)14-15(27-21-16(14)22(2)3)11-7-8-12(19)13(9-11)26-6/h7-10H,1-6H3,(H,20,24).
What are the key properties of 3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide?
3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 1.76, 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-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135113795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).