3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide

C18H12ClFN6O2 — CID 9450875

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H12ClFN6O2/c1-10-15(17(23-28-10)16-13(19)3-2-4-14(16)20)18(27)22-11-5-7-12(8-6-11)26-9-21-24-25-26/h2-9H,1H3,(H,22,27)
InChIKeyTVNRXAWTXUIPMF-UHFFFAOYSA-N
MW398.79 g/mol
LogP3.67
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 9450875) has the molecular formula C18H12ClFN6O2 and a molecular weight of 398.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID9450875
Molecular FormulaC18H12ClFN6O2
Molecular Weight398.79 g/mol
Exact Mass398.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H12ClFN6O2/c1-10-15(17(23-28-10)16-13(19)3-2-4-14(16)20)18(27)22-11-5-7-12(8-6-11)26-9-21-24-25-26/h2-9H,1H3,(H,22,27)
InChIKeyTVNRXAWTXUIPMF-UHFFFAOYSA-N
XLogP3.67
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
3-(2-chloro-6-fluorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34546564
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 41360360
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-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 50777095
3-(2-chloro-6-fluorophenyl)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52666564
diethyl 5-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009709
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 30548402

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 9450875) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is TVNRXAWTXUIPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6O2/c1-10-15(17(23-28-10)16-13(19)3-2-4-14(16)20)18(27)22-11-5-7-12(8-6-11)26-9-21-24-25-26/h2-9H,1H3,(H,22,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 398.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9450875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).