2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide

C17H24N4O3 — CID 126816452

IUPAC2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CC(OC(C)(C)C)C2n2cccn2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-10-14(19-11(2)23-10)16(22)20-12-9-13(24-17(3,4)5)15(12)21-8-6-7-18-21/h6-8,12-13,15H,9H2,1-5H3,(H,20,22)
InChIKeyPOPQMLDSGNLEGS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.42
Rot. Bonds4

About 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide (PubChem CID 126816452) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide
PubChem CID126816452
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CC(OC(C)(C)C)C2n2cccn2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-10-14(19-11(2)23-10)16(22)20-12-9-13(24-17(3,4)5)15(12)21-8-6-7-18-21/h6-8,12-13,15H,9H2,1-5H3,(H,20,22)
InChIKeyPOPQMLDSGNLEGS-UHFFFAOYSA-N
XLogP2.42
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide (CID 126816452) is 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC2CC(OC(C)(C)C)C2n2cccn2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide?
The InChIKey is POPQMLDSGNLEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10-14(19-11(2)23-10)16(22)20-12-9-13(24-17(3,4)5)15(12)21-8-6-7-18-21/h6-8,12-13,15H,9H2,1-5H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126816452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).