N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

C14H16F3N3O — CID 133347534

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9-11(10(2)21-20-9)5-3-7-18-13-12(14(15,16)17)6-4-8-19-13/h4,6,8H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyDQWQJFYOXYKRAN-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.75
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133347534) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133347534
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9-11(10(2)21-20-9)5-3-7-18-13-12(14(15,16)17)6-4-8-19-13/h4,6,8H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyDQWQJFYOXYKRAN-UHFFFAOYSA-N
XLogP3.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154884493
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 62315023
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (CID 133347534) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1noc(C)c1CCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DQWQJFYOXYKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9-11(10(2)21-20-9)5-3-7-18-13-12(14(15,16)17)6-4-8-19-13/h4,6,8H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133347534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).