3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide

C20H18ClFN4O2 — CID 30548402

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H18ClFN4O2/c1-12-17(19(25-28-12)18-14(21)5-4-6-15(18)22)20(27)24-13-7-8-16(23-11-13)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,24,27)
InChIKeyMVNIXMPGTRDAPX-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.69
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide (PubChem CID 30548402) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
PubChem CID30548402
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H18ClFN4O2/c1-12-17(19(25-28-12)18-14(21)5-4-6-15(18)22)20(27)24-13-7-8-16(23-11-13)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,24,27)
InChIKeyMVNIXMPGTRDAPX-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7922491
3-(2-chloro-6-fluorophenyl)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52666564
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422
3-(2-chloro-6-fluorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34546564
3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 9450875
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
CID 39644444
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methylpiperazin-1-yl)-1,2-oxazole-4-carboxamide
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3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide (CID 30548402) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MVNIXMPGTRDAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-12-17(19(25-28-12)18-14(21)5-4-6-15(18)22)20(27)24-13-7-8-16(23-11-13)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,24,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30548402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).