4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine

C9H8ClN3O — CID 115026640

IUPAC4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Cl)c(N)c2)co1
InChIInChI=1S/C9H8ClN3O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,11H2,(H2,12,13)
InChIKeyKSJJCXBKLSVHJM-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.16
Rot. Bonds1

About 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine

4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine (PubChem CID 115026640) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine
PubChem CID115026640
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Cl)c(N)c2)co1
InChIInChI=1S/C9H8ClN3O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,11H2,(H2,12,13)
InChIKeyKSJJCXBKLSVHJM-UHFFFAOYSA-N
XLogP2.16
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine
CID 115034238
4-(9H-fluoren-2-yl)-1,3-oxazol-2-amine
CID 62065372
4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
CID 115031242
4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine
CID 171157533
4-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
CID 116832452
4-[6-(fluoromethyl)-3-pyridinyl]-1,3-oxazol-2-amine
CID 135232669
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 28692665
3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111306
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
5-(3-amino-4-chlorophenyl)pyrimidine-2,4-diamine
CID 54443676
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine (CID 115026640) is 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine is Nc1nc(-c2ccc(Cl)c(N)c2)co1.
What is the InChIKey of 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine?
The InChIKey is KSJJCXBKLSVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,11H2,(H2,12,13).
What are the key properties of 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine?
4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine has a molecular weight of 209.64 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 115026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).