1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide

C19H22N6O3 — CID 66646232

IUPAC1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
SMILESCc1onc(-c2ccccn2)c1N(C)c1cc(C(=O)NC2(C)COC2)n(C)n1
InChIInChI=1S/C19H22N6O3/c1-12-17(16(23-28-12)13-7-5-6-8-20-13)24(3)15-9-14(25(4)22-15)18(26)21-19(2)10-27-11-19/h5-9H,10-11H2,1-4H3,(H,21,26)
InChIKeyQRDABAQMJZRZOI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.07
Rot. Bonds5

About 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide

1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide (PubChem CID 66646232) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
PubChem CID66646232
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
SMILESCc1onc(-c2ccccn2)c1N(C)c1cc(C(=O)NC2(C)COC2)n(C)n1
InChIInChI=1S/C19H22N6O3/c1-12-17(16(23-28-12)13-7-5-6-8-20-13)24(3)15-9-14(25(4)22-15)18(26)21-19(2)10-27-11-19/h5-9H,10-11H2,1-4H3,(H,21,26)
InChIKeyQRDABAQMJZRZOI-UHFFFAOYSA-N
XLogP2.07
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide (CID 66646232) is 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide is Cc1onc(-c2ccccn2)c1N(C)c1cc(C(=O)NC2(C)COC2)n(C)n1.
What is the InChIKey of 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The InChIKey is QRDABAQMJZRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-17(16(23-28-12)13-7-5-6-8-20-13)24(3)15-9-14(25(4)22-15)18(26)21-19(2)10-27-11-19/h5-9H,10-11H2,1-4H3,(H,21,26).
What are the key properties of 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)amino]-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66646232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).