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

C18H18FN5O2 — CID 141034663

IUPAC4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)noc2CN2CCOCC2)n1
InChIInChI=1S/C18H18FN5O2/c19-13-3-1-12(2-4-13)17-16(14-5-6-21-18(20)22-14)15(26-23-17)11-24-7-9-25-10-8-24/h1-6H,7-11H2,(H2,20,21,22)
InChIKeyPHKKAQVLYMEXGV-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.35
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 141034663) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID141034663
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)noc2CN2CCOCC2)n1
InChIInChI=1S/C18H18FN5O2/c19-13-3-1-12(2-4-13)17-16(14-5-6-21-18(20)22-14)15(26-23-17)11-24-7-9-25-10-8-24/h1-6H,7-11H2,(H2,20,21,22)
InChIKeyPHKKAQVLYMEXGV-UHFFFAOYSA-N
XLogP2.35
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine
CID 146018837
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67198791
2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67199939

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 141034663) is 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)noc2CN2CCOCC2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is PHKKAQVLYMEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-13-3-1-12(2-4-13)17-16(14-5-6-21-18(20)22-14)15(26-23-17)11-24-7-9-25-10-8-24/h1-6H,7-11H2,(H2,20,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 355.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 141034663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).