2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide

C23H21N3O3 — CID 30308461

IUPAC2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C23H21N3O3/c1-15-17(21-26-20-19(28-21)13-8-14-24-20)11-7-12-18(15)25-22(27)23(2,3)29-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,27)
InChIKeyHSDFTNGRBYCSFC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.99
Rot. Bonds5

About 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide

2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide (PubChem CID 30308461) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
PubChem CID30308461
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C23H21N3O3/c1-15-17(21-26-20-19(28-21)13-8-14-24-20)11-7-12-18(15)25-22(27)23(2,3)29-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,27)
InChIKeyHSDFTNGRBYCSFC-UHFFFAOYSA-N
XLogP4.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propoxybenzamide
CID 2275973
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 3302133
3-iodo-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1102670
2-(4-bromophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 30308501
N-[[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1339872
3-methyl-N-[[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340380
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308665
5-(4-methyl-2-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 17312879
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1167017
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 3968758
5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 17018462
4-bromo-3-methoxy-N-[[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 17316049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide (CID 30308461) is 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide is Cc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ncccc2o1.
What is the InChIKey of 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is HSDFTNGRBYCSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-17(21-26-20-19(28-21)13-8-14-24-20)11-7-12-18(15)25-22(27)23(2,3)29-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide?
2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 387.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 30308461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).