N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

C26H30FN5O — CID 10321399

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CC4CCC3C4)n2)cc1
InChIInChI=1S/C26H30FN5O/c27-20-8-6-18(7-9-20)25-24(23(33-31-25)16-32-12-2-1-3-13-32)21-10-11-28-26(29-21)30-22-15-17-4-5-19(22)14-17/h6-11,17,19,22H,1-5,12-16H2,(H,28,29,30)
InChIKeyZGKYRHJSSYUPGD-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.52
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 10321399) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID10321399
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CC4CCC3C4)n2)cc1
InChIInChI=1S/C26H30FN5O/c27-20-8-6-18(7-9-20)25-24(23(33-31-25)16-32-12-2-1-3-13-32)21-10-11-28-26(29-21)30-22-15-17-4-5-19(22)14-17/h6-11,17,19,22H,1-5,12-16H2,(H,28,29,30)
InChIKeyZGKYRHJSSYUPGD-UHFFFAOYSA-N
XLogP5.52
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 23435663
4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 141034663
N-(2-bicyclo[2.2.1]heptanyl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559417
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308803
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
CID 141095293
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride
CID 131726109
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
CID 68512552

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 10321399) is N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CC4CCC3C4)n2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is ZGKYRHJSSYUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c27-20-8-6-18(7-9-20)25-24(23(33-31-25)16-32-12-2-1-3-13-32)21-10-11-28-26(29-21)30-22-15-17-4-5-19(22)14-17/h6-11,17,19,22H,1-5,12-16H2,(H,28,29,30).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 447.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10321399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).