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

C17H16ClFN4O2 — CID 31848455

IUPAC3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H16ClFN4O2/c1-10-14(17(24)22(2)8-11-7-20-23(3)9-11)16(21-25-10)15-12(18)5-4-6-13(15)19/h4-7,9H,8H2,1-3H3
InChIKeyQQBLYEUSFUHHCR-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.45
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 31848455) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID31848455
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H16ClFN4O2/c1-10-14(17(24)22(2)8-11-7-20-23(3)9-11)16(21-25-10)15-12(18)5-4-6-13(15)19/h4-7,9H,8H2,1-3H3
InChIKeyQQBLYEUSFUHHCR-UHFFFAOYSA-N
XLogP3.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 34755281
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 8964782
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 34845026
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39966491
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52705090
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-propyl-1,2-oxazole-4-carboxamide
CID 110887164
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 31848455) is 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is QQBLYEUSFUHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-10-14(17(24)22(2)8-11-7-20-23(3)9-11)16(21-25-10)15-12(18)5-4-6-13(15)19/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 31848455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).