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

C16H15N3O4 — CID 68566596

IUPAC(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)On2c(=O)oc3cccnc32)cc1C
InChIInChI=1S/C16H15N3O4/c1-10-5-6-12(8-11(10)2)9-18-15(20)23-19-14-13(22-16(19)21)4-3-7-17-14/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeySMGKGMUWQUPVFB-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.94
Rot. Bonds3

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

(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate (PubChem CID 68566596) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Name(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate
PubChem CID68566596
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)On2c(=O)oc3cccnc32)cc1C
InChIInChI=1S/C16H15N3O4/c1-10-5-6-12(8-11(10)2)9-18-15(20)23-19-14-13(22-16(19)21)4-3-7-17-14/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeySMGKGMUWQUPVFB-UHFFFAOYSA-N
XLogP1.94
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen
CID 145219643
(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate
CID 69115907
2-(3-methylphenyl)-N-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 66921849
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
CID 82060173
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71864510
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
CID 70213575
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 106698884
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 13314020
[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414898

Frequently Asked Questions

What is the IUPAC name of (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate?
The IUPAC name of (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate (CID 68566596) is (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate.
What is the SMILES notation for (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate?
The canonical SMILES for (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate is Cc1ccc(CNC(=O)On2c(=O)oc3cccnc32)cc1C.
What is the InChIKey of (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate?
The InChIKey is SMGKGMUWQUPVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-5-6-12(8-11(10)2)9-18-15(20)23-19-14-13(22-16(19)21)4-3-7-17-14/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate?
(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate has a molecular weight of 313.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate is sourced from PubChem (CID 68566596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).