[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid

C18H16ClN3O3 — CID 68881055

IUPAC[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid
SMILESCC(c1ccccc1Cl)N(C(=O)O)c1conc1-c1ccc(N)cc1
InChIInChI=1S/C18H16ClN3O3/c1-11(14-4-2-3-5-15(14)19)22(18(23)24)16-10-25-21-17(16)12-6-8-13(20)9-7-12/h2-11H,20H2,1H3,(H,23,24)
InChIKeyHGJZHGYFBLBSDJ-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.82
Rot. Bonds4

About [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid

[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid (PubChem CID 68881055) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid
PubChem CID68881055
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid
SMILESCC(c1ccccc1Cl)N(C(=O)O)c1conc1-c1ccc(N)cc1
InChIInChI=1S/C18H16ClN3O3/c1-11(14-4-2-3-5-15(14)19)22(18(23)24)16-10-25-21-17(16)12-6-8-13(20)9-7-12/h2-11H,20H2,1H3,(H,23,24)
InChIKeyHGJZHGYFBLBSDJ-UHFFFAOYSA-N
XLogP4.82
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid?
The IUPAC name of [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid (CID 68881055) is [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid?
The canonical SMILES for [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid is CC(c1ccccc1Cl)N(C(=O)O)c1conc1-c1ccc(N)cc1.
What is the InChIKey of [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid?
The InChIKey is HGJZHGYFBLBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11(14-4-2-3-5-15(14)19)22(18(23)24)16-10-25-21-17(16)12-6-8-13(20)9-7-12/h2-11H,20H2,1H3,(H,23,24).
What are the key properties of [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid?
[3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid has a molecular weight of 357.80 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminophenyl)-1,2-oxazol-4-yl]-[1-(2-chlorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 68881055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).