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

C22H19N3O3 — CID 89377204

IUPAC(3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cc(C)cc(OC(=O)N(C)c2ccccc2-c2nc3ncccc3o2)c1
InChIInChI=1S/C22H19N3O3/c1-14-11-15(2)13-16(12-14)27-22(26)25(3)18-8-5-4-7-17(18)21-24-20-19(28-21)9-6-10-23-20/h4-13H,1-3H3
InChIKeyJEDVNGIEYHBQDV-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.14
Rot. Bonds3

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

(3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 89377204) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
PubChem CID89377204
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cc(C)cc(OC(=O)N(C)c2ccccc2-c2nc3ncccc3o2)c1
InChIInChI=1S/C22H19N3O3/c1-14-11-15(2)13-16(12-14)27-22(26)25(3)18-8-5-4-7-17(18)21-24-20-19(28-21)9-6-10-23-20/h4-13H,1-3H3
InChIKeyJEDVNGIEYHBQDV-UHFFFAOYSA-N
XLogP5.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate (CID 89377204) is (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate is Cc1cc(C)cc(OC(=O)N(C)c2ccccc2-c2nc3ncccc3o2)c1.
What is the InChIKey of (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is JEDVNGIEYHBQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-11-15(2)13-16(12-14)27-22(26)25(3)18-8-5-4-7-17(18)21-24-20-19(28-21)9-6-10-23-20/h4-13H,1-3H3.
What are the key properties of (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate?
(3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) N-methyl-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 89377204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).