4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide

C19H17N3O3 — CID 45230085

IUPAC4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C19H17N3O3/c1-12-17(24-11-22-12)19(23)21-10-15-9-14-3-2-4-16(18(14)25-15)13-5-7-20-8-6-13/h2-8,11,15H,9-10H2,1H3,(H,21,23)
InChIKeyZPBCAOWVOMUISE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 45230085) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID45230085
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C19H17N3O3/c1-12-17(24-11-22-12)19(23)21-10-15-9-14-3-2-4-16(18(14)25-15)13-5-7-20-8-6-13/h2-8,11,15H,9-10H2,1H3,(H,21,23)
InChIKeyZPBCAOWVOMUISE-UHFFFAOYSA-N
XLogP2.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42398905
N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 45189482
3-(3-methylpyrazol-1-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42165932
3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45187464
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42163523
5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
CID 45175739
3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 74780992
1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide
CID 45166516
N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42432354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide (CID 45230085) is 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cc2cccc(-c3ccncc3)c2O1.
What is the InChIKey of 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZPBCAOWVOMUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-17(24-11-22-12)19(23)21-10-15-9-14-3-2-4-16(18(14)25-15)13-5-7-20-8-6-13/h2-8,11,15H,9-10H2,1H3,(H,21,23).
What are the key properties of 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45230085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).