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

C13H13FN2O — CID 90866638

IUPACN-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CC2)no1
InChIInChI=1S/C13H13FN2O/c1-9-7-13(15-17-9)16(11-5-6-11)12-4-2-3-10(14)8-12/h2-4,7-8,11H,5-6H2,1H3
InChIKeyIVGZJWSTLQCPBU-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.42
Rot. Bonds3

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

N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 90866638) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID90866638
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CC2)no1
InChIInChI=1S/C13H13FN2O/c1-9-7-13(15-17-9)16(11-5-6-11)12-4-2-3-10(14)8-12/h2-4,7-8,11H,5-6H2,1H3
InChIKeyIVGZJWSTLQCPBU-UHFFFAOYSA-N
XLogP3.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (CID 90866638) is N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(N(c2cccc(F)c2)C2CC2)no1.
What is the InChIKey of N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is IVGZJWSTLQCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-7-13(15-17-9)16(11-5-6-11)12-4-2-3-10(14)8-12/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 232.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90866638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).