1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine

C16H13ClN4O2 — CID 24860997

IUPAC1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
SMILESON/C(=N\c1cccc(-c2cnco2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-4-2-6-14(8-12)20-16(21-22)19-13-5-1-3-11(7-13)15-9-18-10-23-15/h1-10,22H,(H2,19,20,21)
InChIKeyFBNGQEKSBSEXDE-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.07
Rot. Bonds3

About 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine

1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine (PubChem CID 24860997) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
PubChem CID24860997
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
SMILESON/C(=N\c1cccc(-c2cnco2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-4-2-6-14(8-12)20-16(21-22)19-13-5-1-3-11(7-13)15-9-18-10-23-15/h1-10,22H,(H2,19,20,21)
InChIKeyFBNGQEKSBSEXDE-UHFFFAOYSA-N
XLogP4.07
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
CID 69055551
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
5-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 47265686
2-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 61041502
1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine
CID 24860939
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 66378031
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The IUPAC name of 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine (CID 24860997) is 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The canonical SMILES for 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine is ON/C(=N\c1cccc(-c2cnco2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
The InChIKey is FBNGQEKSBSEXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-4-2-6-14(8-12)20-16(21-22)19-13-5-1-3-11(7-13)15-9-18-10-23-15/h1-10,22H,(H2,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine?
1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine has a molecular weight of 328.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine is sourced from PubChem (CID 24860997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).