1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea

C18H17N3O2 — CID 2738194

IUPAC1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea
SMILESCc1onc(-c2ccccc2)c1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)14-8-4-2-5-9-14)12-19-18(22)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,22)
InChIKeyHJPCQESJBYNFJG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.97
Rot. Bonds4

About 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea

1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea (PubChem CID 2738194) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea
PubChem CID2738194
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea
SMILESCc1onc(-c2ccccc2)c1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)14-8-4-2-5-9-14)12-19-18(22)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,22)
InChIKeyHJPCQESJBYNFJG-UHFFFAOYSA-N
XLogP3.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea (CID 2738194) is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea is Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea?
The InChIKey is HJPCQESJBYNFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)14-8-4-2-5-9-14)12-19-18(22)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea?
1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea has a molecular weight of 307.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-phenylurea is sourced from PubChem (CID 2738194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).