4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C24H28FN5O3 — CID 23435641

IUPAC4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCOCC3)n2)CC1
InChIInChI=1S/C24H28FN5O3/c25-17-3-1-16(2-4-17)23-22(21(33-29-23)15-30-11-13-32-14-12-30)20-9-10-26-24(28-20)27-18-5-7-19(31)8-6-18/h1-4,9-10,18-19,31H,5-8,11-15H2,(H,26,27,28)
InChIKeyQHAFQKHIYISPLR-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.49
Rot. Bonds6

About 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 23435641) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID23435641
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCOCC3)n2)CC1
InChIInChI=1S/C24H28FN5O3/c25-17-3-1-16(2-4-17)23-22(21(33-29-23)15-30-11-13-32-14-12-30)20-9-10-26-24(28-20)27-18-5-7-19(31)8-6-18/h1-4,9-10,18-19,31H,5-8,11-15H2,(H,26,27,28)
InChIKeyQHAFQKHIYISPLR-UHFFFAOYSA-N
XLogP3.49
TPSA96.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 23435641) is 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCOCC3)n2)CC1.
What is the InChIKey of 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is QHAFQKHIYISPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c25-17-3-1-16(2-4-17)23-22(21(33-29-23)15-30-11-13-32-14-12-30)20-9-10-26-24(28-20)27-18-5-7-19(31)8-6-18/h1-4,9-10,18-19,31H,5-8,11-15H2,(H,26,27,28).
What are the key properties of 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 453.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 23435641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).