N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C14H15N5O2 — CID 43546792

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n[nH]c2C)c2c(C)noc2n1
InChIInChI=1S/C14H15N5O2/c1-6-5-10(11-7(2)19-21-14(11)15-6)13(20)16-12-8(3)17-18-9(12)4/h5H,1-4H3,(H,16,20)(H,17,18)
InChIKeySMEGXRLXRVOXRC-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.43
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43546792) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43546792
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n[nH]c2C)c2c(C)noc2n1
InChIInChI=1S/C14H15N5O2/c1-6-5-10(11-7(2)19-21-14(11)15-6)13(20)16-12-8(3)17-18-9(12)4/h5H,1-4H3,(H,16,20)(H,17,18)
InChIKeySMEGXRLXRVOXRC-UHFFFAOYSA-N
XLogP2.43
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43546792) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c2c(C)noc2n1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SMEGXRLXRVOXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-6-5-10(11-7(2)19-21-14(11)15-6)13(20)16-12-8(3)17-18-9(12)4/h5H,1-4H3,(H,16,20)(H,17,18).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43546792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).