N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C15H15N3O2S — CID 18163513

IUPACN,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccsc2)c2c(C)noc2n1
InChIInChI=1S/C15H15N3O2S/c1-9-6-12(13-10(2)17-20-14(13)16-9)15(19)18(3)7-11-4-5-21-8-11/h4-6,8H,7H2,1-3H3
InChIKeyCRYAOUJLQCELFO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.17
Rot. Bonds3

About N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18163513) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18163513
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccsc2)c2c(C)noc2n1
InChIInChI=1S/C15H15N3O2S/c1-9-6-12(13-10(2)17-20-14(13)16-9)15(19)18(3)7-11-4-5-21-8-11/h4-6,8H,7H2,1-3H3
InChIKeyCRYAOUJLQCELFO-UHFFFAOYSA-N
XLogP3.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,6-trimethyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18162206
N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821702
N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 72925748
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 113227301
N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 43036683
N-[(3-chlorophenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831602
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86928987
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18163513) is N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccsc2)c2c(C)noc2n1.
What is the InChIKey of N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CRYAOUJLQCELFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-6-12(13-10(2)17-20-14(13)16-9)15(19)18(3)7-11-4-5-21-8-11/h4-6,8H,7H2,1-3H3.
What are the key properties of N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18163513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).