1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea

C19H19N3O3 — CID 75440545

IUPAC1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea
SMILESCc1ocnc1CNC(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c1-14-18(22-13-24-14)12-21-19(23)20-11-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,21,23)
InChIKeyACUWOBYDFVXBKA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.77
Rot. Bonds6

About 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea (PubChem CID 75440545) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea
PubChem CID75440545
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea
SMILESCc1ocnc1CNC(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c1-14-18(22-13-24-14)12-21-19(23)20-11-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,21,23)
InChIKeyACUWOBYDFVXBKA-UHFFFAOYSA-N
XLogP3.77
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 84593941
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 71905944
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea (CID 75440545) is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea is Cc1ocnc1CNC(=O)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea?
The InChIKey is ACUWOBYDFVXBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14-18(22-13-24-14)12-21-19(23)20-11-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea?
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea has a molecular weight of 337.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 75440545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).