N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

C15H17FN2O — CID 90779895

IUPACN-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CCCC2)no1
InChIInChI=1S/C15H17FN2O/c1-11-9-15(17-19-11)18(13-6-2-3-7-13)14-8-4-5-12(16)10-14/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyYPALSYBVMBZJSB-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.20
Rot. Bonds3

About N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 90779895) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID90779895
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CCCC2)no1
InChIInChI=1S/C15H17FN2O/c1-11-9-15(17-19-11)18(13-6-2-3-7-13)14-8-4-5-12(16)10-14/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyYPALSYBVMBZJSB-UHFFFAOYSA-N
XLogP4.20
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (CID 90779895) is N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(N(c2cccc(F)c2)C2CCCC2)no1.
What is the InChIKey of N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is YPALSYBVMBZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-9-15(17-19-11)18(13-6-2-3-7-13)14-8-4-5-12(16)10-14/h4-5,8-10,13H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 260.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).