3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C18H15ClF3N3O — CID 51130666

IUPAC3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1oc(-c2ccccc2)nc1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H15ClF3N3O/c1-11-15(25-17(26-11)12-5-3-2-4-6-12)7-8-23-16-14(19)9-13(10-24-16)18(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,24)
InChIKeyKJODRCRQSCUVAO-UHFFFAOYSA-N
MW381.79 g/mol
LogP5.37
Rot. Bonds5

About 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 51130666) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID51130666
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC Name3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1oc(-c2ccccc2)nc1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H15ClF3N3O/c1-11-15(25-17(26-11)12-5-3-2-4-6-12)7-8-23-16-14(19)9-13(10-24-16)18(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,24)
InChIKeyKJODRCRQSCUVAO-UHFFFAOYSA-N
XLogP5.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.79
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 51130666) is 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1oc(-c2ccccc2)nc1CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KJODRCRQSCUVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c1-11-15(25-17(26-11)12-5-3-2-4-6-12)7-8-23-16-14(19)9-13(10-24-16)18(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,24).
What are the key properties of 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 381.79 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 51130666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).