1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea

C20H15FN4O2 — CID 11337407

IUPAC1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea
SMILESNc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
InChIInChI=1S/C20H15FN4O2/c21-15-5-1-2-6-16(15)24-20(26)23-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
InChIKeyTZOUNCJSFSDDCR-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.86
Rot. Bonds3

About 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea

1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea (PubChem CID 11337407) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea
PubChem CID11337407
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea
SMILESNc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
InChIInChI=1S/C20H15FN4O2/c21-15-5-1-2-6-16(15)24-20(26)23-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26)
InChIKeyTZOUNCJSFSDDCR-UHFFFAOYSA-N
XLogP4.86
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 9928737
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-methylphenyl)urea
CID 11152545
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]urea
CID 11189551
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 11235290
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-methoxyphenyl)urea
CID 11257328
n-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]urea
CID 11265647
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-fluorophenyl)urea
CID 11268446
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-difluorophenyl)urea
CID 11280431
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11304968
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-fluorophenyl)urea
CID 11325920
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 11327388
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-bromophenyl)urea
CID 11373591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea (CID 11337407) is 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea is Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is TZOUNCJSFSDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-15-5-1-2-6-16(15)24-20(26)23-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(22)25-27-17/h1-11H,(H2,22,25)(H2,23,24,26).
What are the key properties of 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea?
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 362.36 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 11337407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).