N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C15H9ClF3N3O2 — CID 135354570

IUPACN-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)N(Cl)c2ccc3ncccc3c2)o1
InChIInChI=1S/C15H9ClF3N3O2/c1-8-21-13(15(17,18)19)12(24-8)14(23)22(16)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3
InChIKeyVBDMEQMOWJZCDW-UHFFFAOYSA-N
MW355.70 g/mol
LogP4.35
Rot. Bonds2

About N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 135354570) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID135354570
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC NameN-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)N(Cl)c2ccc3ncccc3c2)o1
InChIInChI=1S/C15H9ClF3N3O2/c1-8-21-13(15(17,18)19)12(24-8)14(23)22(16)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3
InChIKeyVBDMEQMOWJZCDW-UHFFFAOYSA-N
XLogP4.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 135354570) is N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)N(Cl)c2ccc3ncccc3c2)o1.
What is the InChIKey of N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is VBDMEQMOWJZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c1-8-21-13(15(17,18)19)12(24-8)14(23)22(16)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3.
What are the key properties of N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 355.70 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-methyl-N-quinolin-6-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135354570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).