N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine

C18H21N3O — CID 101465718

IUPACN-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESCC(C)(C)[C@H]1COC(c2ccccc2Nc2ccccn2)=N1
InChIInChI=1S/C18H21N3O/c1-18(2,3)15-12-22-17(21-15)13-8-4-5-9-14(13)20-16-10-6-7-11-19-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyOTWBBPMEXYGCGK-OAHLLOKOSA-N
MW295.39 g/mol
LogP4.02
Rot. Bonds3

About N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine

N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (PubChem CID 101465718) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
PubChem CID101465718
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESCC(C)(C)[C@H]1COC(c2ccccc2Nc2ccccn2)=N1
InChIInChI=1S/C18H21N3O/c1-18(2,3)15-12-22-17(21-15)13-8-4-5-9-14(13)20-16-10-6-7-11-19-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyOTWBBPMEXYGCGK-OAHLLOKOSA-N
XLogP4.02
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine with MolForge

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Related Compounds

PF-592379
CID 10263487
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
5-[(5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine
CID 57587922
5-[(2S,5S)-5-methylmorpholin-2-yl]pyridin-2-amine
CID 130816094
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-methyl-2-pyridinyl)butanamide
CID 3237904
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-pyridin-2-ylacetamide
CID 3243068
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(4-methylpyridin-2-yl)acetamide
CID 3245208
4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-pyridin-2-ylbutanamide
CID 3245345
5-[(2R,5S)-5-methylmorpholin-2-yl]pyridin-2-amine
CID 11672839
5-[(5S)-5-methyl-4-propylmorpholin-2-yl]-N,N-dipropylpyridin-2-amine
CID 155195495

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (CID 101465718) is N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is CC(C)(C)[C@H]1COC(c2ccccc2Nc2ccccn2)=N1.
What is the InChIKey of N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The InChIKey is OTWBBPMEXYGCGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,3)15-12-22-17(21-15)13-8-4-5-9-14(13)20-16-10-6-7-11-19-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 101465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).