1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea

C17H19N3O4 — CID 74241430

IUPAC1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
SMILESCC(C)c1cc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)OC3)no1
InChIInChI=1S/C17H19N3O4/c1-10(2)15-7-13(19-24-15)8-20(3)17(22)18-12-5-4-11-9-23-16(21)14(11)6-12/h4-7,10H,8-9H2,1-3H3,(H,18,22)
InChIKeyFZIJEDUIOQOELU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.13
Rot. Bonds4

About 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea

1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 74241430) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
PubChem CID74241430
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
SMILESCC(C)c1cc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)OC3)no1
InChIInChI=1S/C17H19N3O4/c1-10(2)15-7-13(19-24-15)8-20(3)17(22)18-12-5-4-11-9-23-16(21)14(11)6-12/h4-7,10H,8-9H2,1-3H3,(H,18,22)
InChIKeyFZIJEDUIOQOELU-UHFFFAOYSA-N
XLogP3.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-oxo-1H-2-benzofuran-5-yl)-1,2-oxazole-4-carboxamide
CID 2810949
(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 126443920
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
CID 74238195
3-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
CID 118780229
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86862693
N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 126550901
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
CID 808394
3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
CID 860482
1-(3,5-difluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
CID 25098029
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea (CID 74241430) is 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea is CC(C)c1cc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)OC3)no1.
What is the InChIKey of 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is FZIJEDUIOQOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(2)15-7-13(19-24-15)8-20(3)17(22)18-12-5-4-11-9-23-16(21)14(11)6-12/h4-7,10H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 329.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-oxo-1H-2-benzofuran-5-yl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 74241430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).