2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C20H18FN5O3 — CID 99696295

IUPAC2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C20H18FN5O3/c1-12-18(25-20(29-12)14-4-2-3-5-15(14)21)19(28)24-13-6-7-16(23-10-13)26-9-8-22-17(27)11-26/h2-7,10H,8-9,11H2,1H3,(H,22,27)(H,24,28)
InChIKeyRKCNAFRLYZVAOV-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.37
Rot. Bonds4

About 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 99696295) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID99696295
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C20H18FN5O3/c1-12-18(25-20(29-12)14-4-2-3-5-15(14)21)19(28)24-13-6-7-16(23-10-13)26-9-8-22-17(27)11-26/h2-7,10H,8-9,11H2,1H3,(H,22,27)(H,24,28)
InChIKeyRKCNAFRLYZVAOV-UHFFFAOYSA-N
XLogP2.37
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86982929
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 99696295) is 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RKCNAFRLYZVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-12-18(25-20(29-12)14-4-2-3-5-15(14)21)19(28)24-13-6-7-16(23-10-13)26-9-8-22-17(27)11-26/h2-7,10H,8-9,11H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99696295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).