5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide

C20H22N4O3 — CID 46975545

IUPAC5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)CC(C)O4)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-4-24-12-16(10-21-24)19-9-17(22-27-19)20(25)23(3)11-14-5-6-18-15(8-14)7-13(2)26-18/h5-6,8-10,12-13H,4,7,11H2,1-3H3
InChIKeyQFBXPMXQWKMPLS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.15
Rot. Bonds5

About 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide

5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46975545) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46975545
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)CC(C)O4)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-4-24-12-16(10-21-24)19-9-17(22-27-19)20(25)23(3)11-14-5-6-18-15(8-14)7-13(2)26-18/h5-6,8-10,12-13H,4,7,11H2,1-3H3
InChIKeyQFBXPMXQWKMPLS-UHFFFAOYSA-N
XLogP3.15
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide (CID 46975545) is 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide is CCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)CC(C)O4)no2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QFBXPMXQWKMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-24-12-16(10-21-24)19-9-17(22-27-19)20(25)23(3)11-14-5-6-18-15(8-14)7-13(2)26-18/h5-6,8-10,12-13H,4,7,11H2,1-3H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46975545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).