N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine

C22H24FN3O2 — CID 23435659

IUPACN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-27-14-19-21(22(26-28-19)15-7-9-17(23)10-8-15)16-11-12-24-20(13-16)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,25)
InChIKeyNLKPMNGBAMCJBR-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.43
Rot. Bonds6

About N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine

N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine (PubChem CID 23435659) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine
PubChem CID23435659
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-27-14-19-21(22(26-28-19)15-7-9-17(23)10-8-15)16-11-12-24-20(13-16)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,25)
InChIKeyNLKPMNGBAMCJBR-UHFFFAOYSA-N
XLogP5.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine (CID 23435659) is N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine is COCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine?
The InChIKey is NLKPMNGBAMCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-27-14-19-21(22(26-28-19)15-7-9-17(23)10-8-15)16-11-12-24-20(13-16)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,25).
What are the key properties of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine?
N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine has a molecular weight of 381.45 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 23435659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).