N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

C15H19ClFN3O — CID 100642221

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCc1nnc(CN(Cc2cc(F)ccc2Cl)C(C)(C)C)o1
InChIInChI=1S/C15H19ClFN3O/c1-10-18-19-14(21-10)9-20(15(2,3)4)8-11-7-12(17)5-6-13(11)16/h5-7H,8-9H2,1-4H3
InChIKeyUOBFIZSWXULAGL-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.97
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (PubChem CID 100642221) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
PubChem CID100642221
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCc1nnc(CN(Cc2cc(F)ccc2Cl)C(C)(C)C)o1
InChIInChI=1S/C15H19ClFN3O/c1-10-18-19-14(21-10)9-20(15(2,3)4)8-11-7-12(17)5-6-13(11)16/h5-7H,8-9H2,1-4H3
InChIKeyUOBFIZSWXULAGL-UHFFFAOYSA-N
XLogP3.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (CID 100642221) is N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is Cc1nnc(CN(Cc2cc(F)ccc2Cl)C(C)(C)C)o1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The InChIKey is UOBFIZSWXULAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-10-18-19-14(21-10)9-20(15(2,3)4)8-11-7-12(17)5-6-13(11)16/h5-7H,8-9H2,1-4H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine has a molecular weight of 311.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 100642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).