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

C25H29FN4O — CID 18515970

IUPACN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2nc(N3CCCCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H29FN4O/c26-20-11-9-18(10-12-20)23-24(31-25(29-23)30-15-5-2-6-16-30)19-13-14-27-22(17-19)28-21-7-3-1-4-8-21/h9-14,17,21H,1-8,15-16H2,(H,27,28)
InChIKeyMWNBXSQNOFWFJR-UHFFFAOYSA-N
MW420.53 g/mol
LogP6.28
Rot. Bonds5

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

N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine (PubChem CID 18515970) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine
PubChem CID18515970
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2nc(N3CCCCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H29FN4O/c26-20-11-9-18(10-12-20)23-24(31-25(29-23)30-15-5-2-6-16-30)19-13-14-27-22(17-19)28-21-7-3-1-4-8-21/h9-14,17,21H,1-8,15-16H2,(H,27,28)
InChIKeyMWNBXSQNOFWFJR-UHFFFAOYSA-N
XLogP6.28
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidin-4-ol
CID 44346053
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
(3R,5S)-N-[(6-amino-2-pyridinyl)methyl]-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233020
1-[({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]-4-pyridin-2-ylpiperazine
CID 3244779
4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-oxazol-2-yl}-1-methyl-piperidin-4-ol
CID 9804858
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
(2-Methoxy-6-oxazol-5-yl-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11631233
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine (CID 18515970) is N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine is Fc1ccc(-c2nc(N3CCCCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The InChIKey is MWNBXSQNOFWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-20-11-9-18(10-12-20)23-24(31-25(29-23)30-15-5-2-6-16-30)19-13-14-27-22(17-19)28-21-7-3-1-4-8-21/h9-14,17,21H,1-8,15-16H2,(H,27,28).
What are the key properties of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine?
N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine has a molecular weight of 420.53 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 18515970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).