1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

C20H17N3O2 — CID 157209077

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCc1noc(C)c1C(=O)Cc1cnc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C20H17N3O2/c1-12-19(13(2)25-23-12)18(24)9-14-8-16-10-17(22-20(16)21-11-14)15-6-4-3-5-7-15/h3-8,10-11H,9H2,1-2H3,(H,21,22)
InChIKeyARRLOEFSROKJEF-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.26
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (PubChem CID 157209077) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
PubChem CID157209077
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCc1noc(C)c1C(=O)Cc1cnc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C20H17N3O2/c1-12-19(13(2)25-23-12)18(24)9-14-8-16-10-17(22-20(16)21-11-14)15-6-4-3-5-7-15/h3-8,10-11H,9H2,1-2H3,(H,21,22)
InChIKeyARRLOEFSROKJEF-UHFFFAOYSA-N
XLogP4.26
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
3-[4-(2,3-Difluorophenyl)-1,2-Oxazol-5-Yl]-5-(Pyridin-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 135566739
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
CID 166632650
4-[3[(2-chloro-6-fluoro-phenyl)-methoxy-methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267709
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
CID 164615818
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-N-hydroxyheptanamide
CID 168275989
5-methyl-N-(5-methyl-2-pyridinyl)-3-phenyl-4-isoxazolecarboxamide
CID 868950
2-[4-(3,5-Dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834619

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (CID 157209077) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is Cc1noc(C)c1C(=O)Cc1cnc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The InChIKey is ARRLOEFSROKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-19(13(2)25-23-12)18(24)9-14-8-16-10-17(22-20(16)21-11-14)15-6-4-3-5-7-15/h3-8,10-11H,9H2,1-2H3,(H,21,22).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone has a molecular weight of 331.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 157209077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).