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

C21H24FN3O — CID 44597013

IUPACN-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCCC(C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1
InChIInChI=1S/C21H24FN3O/c1-5-14(4)24-18-12-16(10-11-23-18)19-20(25-26-21(19)13(2)3)15-6-8-17(22)9-7-15/h6-14H,5H2,1-4H3,(H,23,24)
InChIKeyONBWBXOALQFMCF-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.88
Rot. Bonds6

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

N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine (PubChem CID 44597013) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
PubChem CID44597013
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCCC(C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1
InChIInChI=1S/C21H24FN3O/c1-5-14(4)24-18-12-16(10-11-23-18)19-20(25-26-21(19)13(2)3)15-6-8-17(22)9-7-15/h6-14H,5H2,1-4H3,(H,23,24)
InChIKeyONBWBXOALQFMCF-UHFFFAOYSA-N
XLogP5.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine with MolForge

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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
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
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
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The IUPAC name of N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine (CID 44597013) is N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine is CCC(C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1.
What is the InChIKey of N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The InChIKey is ONBWBXOALQFMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-5-14(4)24-18-12-16(10-11-23-18)19-20(25-26-21(19)13(2)3)15-6-8-17(22)9-7-15/h6-14H,5H2,1-4H3,(H,23,24).
What are the key properties of N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine has a molecular weight of 353.44 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 44597013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).