3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H21N5O3 — CID 78840051

IUPAC3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1
InChIInChI=1S/C19H21N5O3/c1-10(2)15-9-14(16-11(3)24-27-18(16)23-15)17(25)21-12-5-7-13(8-6-12)22-19(26)20-4/h5-10H,1-4H3,(H,21,25)(H2,20,22,26)
InChIKeyGVRQBTHGDGABNF-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.66
Rot. Bonds4

About 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78840051) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78840051
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1
InChIInChI=1S/C19H21N5O3/c1-10(2)15-9-14(16-11(3)24-27-18(16)23-15)17(25)21-12-5-7-13(8-6-12)22-19(26)20-4/h5-10H,1-4H3,(H,21,25)(H2,20,22,26)
InChIKeyGVRQBTHGDGABNF-UHFFFAOYSA-N
XLogP3.66
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78840051) is 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1.
What is the InChIKey of 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GVRQBTHGDGABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-10(2)15-9-14(16-11(3)24-27-18(16)23-15)17(25)21-12-5-7-13(8-6-12)22-19(26)20-4/h5-10H,1-4H3,(H,21,25)(H2,20,22,26).
What are the key properties of 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78840051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).