2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine

C26H24N4O — CID 121406017

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3ccccn3c2N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H24N4O/c1-17(20-9-5-4-6-10-20)27-26-25(28-23-11-7-8-16-30(23)26)22-14-12-21(13-15-22)24-18(2)29-31-19(24)3/h4-17,27H,1-3H3/t17-/m0/s1
InChIKeyFGRGTCOHHZLYHP-KRWDZBQOSA-N
MW408.51 g/mol
LogP6.45
Rot. Bonds5

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 121406017) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID121406017
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3ccccn3c2N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H24N4O/c1-17(20-9-5-4-6-10-20)27-26-25(28-23-11-7-8-16-30(23)26)22-14-12-21(13-15-22)24-18(2)29-31-19(24)3/h4-17,27H,1-3H3/t17-/m0/s1
InChIKeyFGRGTCOHHZLYHP-KRWDZBQOSA-N
XLogP6.45
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine (CID 121406017) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine is Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is FGRGTCOHHZLYHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17(20-9-5-4-6-10-20)27-26-25(28-23-11-7-8-16-30(23)26)22-14-12-21(13-15-22)24-18(2)29-31-19(24)3/h4-17,27H,1-3H3/t17-/m0/s1.
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 408.51 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 121406017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).