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

C19H18N4O3 — CID 78849286

IUPAC3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(C(C)C)nc4onc(C)c34)cc2o1
InChIInChI=1S/C19H18N4O3/c1-9(2)15-8-13(17-10(3)23-26-19(17)22-15)18(24)21-12-5-6-14-16(7-12)25-11(4)20-14/h5-9H,1-4H3,(H,21,24)
InChIKeyDLWDYWZSSYRSMF-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.36
Rot. Bonds3

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

3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78849286) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78849286
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(C(C)C)nc4onc(C)c34)cc2o1
InChIInChI=1S/C19H18N4O3/c1-9(2)15-8-13(17-10(3)23-26-19(17)22-15)18(24)21-12-5-6-14-16(7-12)25-11(4)20-14/h5-9H,1-4H3,(H,21,24)
InChIKeyDLWDYWZSSYRSMF-UHFFFAOYSA-N
XLogP4.36
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78891603
N-(1H-indol-6-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45493215
N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78886813
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71860884
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112835639
N-(5-chloro-2-methylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807982
3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112833632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78849286) is 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nc2ccc(NC(=O)c3cc(C(C)C)nc4onc(C)c34)cc2o1.
What is the InChIKey of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DLWDYWZSSYRSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-9(2)15-8-13(17-10(3)23-26-19(17)22-15)18(24)21-12-5-6-14-16(7-12)25-11(4)20-14/h5-9H,1-4H3,(H,21,24).
What are the key properties of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78849286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).