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

C16H19N5O2 — CID 44821702

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C16H19N5O2/c1-5-21-12(6-7-17-21)9-20(4)16(22)13-8-10(2)18-15-14(13)11(3)19-23-15/h6-8H,5,9H2,1-4H3
InChIKeyACDWGKJMEHDOJR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.33
Rot. Bonds4

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

N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821702) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821702
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C16H19N5O2/c1-5-21-12(6-7-17-21)9-20(4)16(22)13-8-10(2)18-15-14(13)11(3)19-23-15/h6-8H,5,9H2,1-4H3
InChIKeyACDWGKJMEHDOJR-UHFFFAOYSA-N
XLogP2.33
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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,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
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18163513
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
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)-methylamino]propanoic acid
CID 62627993
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821702) is N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1nccc1CN(C)C(=O)c1cc(C)nc2onc(C)c12.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ACDWGKJMEHDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-5-21-12(6-7-17-21)9-20(4)16(22)13-8-10(2)18-15-14(13)11(3)19-23-15/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).