1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea

C16H14ClN3O2 — CID 3576575

IUPAC1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-14(10-12)20-16(21)19-13-6-4-11(5-7-13)15-18-8-9-22-15/h1-7,10H,8-9H2,(H2,19,20,21)
InChIKeyHZWBENLRUPRJFS-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 3576575) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
PubChem CID3576575
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-14(10-12)20-16(21)19-13-6-4-11(5-7-13)15-18-8-9-22-15/h1-7,10H,8-9H2,(H2,19,20,21)
InChIKeyHZWBENLRUPRJFS-UHFFFAOYSA-N
XLogP3.76
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 168763640
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea (CID 3576575) is 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea is O=C(Nc1ccc(C2=NCCO2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is HZWBENLRUPRJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-2-1-3-14(10-12)20-16(21)19-13-6-4-11(5-7-13)15-18-8-9-22-15/h1-7,10H,8-9H2,(H2,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 315.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 3576575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).