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

C22H25FN4O2 — CID 23435663

IUPACN-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESCCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C22H25FN4O2/c1-2-28-14-19-20(21(27-29-19)15-8-10-16(23)11-9-15)18-12-13-24-22(26-18)25-17-6-4-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,24,25,26)
InChIKeyOQJCYWYNXQQGDM-UHFFFAOYSA-N
MW396.47 g/mol
LogP5.22
Rot. Bonds7

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

N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 23435663) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID23435663
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESCCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C22H25FN4O2/c1-2-28-14-19-20(21(27-29-19)15-8-10-16(23)11-9-15)18-12-13-24-22(26-18)25-17-6-4-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,24,25,26)
InChIKeyOQJCYWYNXQQGDM-UHFFFAOYSA-N
XLogP5.22
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 23435663) is N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is CCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is OQJCYWYNXQQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-2-28-14-19-20(21(27-29-19)15-8-10-16(23)11-9-15)18-12-13-24-22(26-18)25-17-6-4-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,24,25,26).
What are the key properties of N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 396.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 23435663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).