5-(3-chlorophenyl)-1,2-oxazol-4-amine

C9H7ClN2O — CID 82400734

IUPAC5-(3-chlorophenyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cccc(Cl)c1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)9-8(11)5-12-13-9/h1-5H,11H2
InChIKeyICZCUIRXAOGVSC-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.58
Rot. Bonds1

About 5-(3-chlorophenyl)-1,2-oxazol-4-amine

5-(3-chlorophenyl)-1,2-oxazol-4-amine (PubChem CID 82400734) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,2-oxazol-4-amine
PubChem CID82400734
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-(3-chlorophenyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cccc(Cl)c1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)9-8(11)5-12-13-9/h1-5H,11H2
InChIKeyICZCUIRXAOGVSC-UHFFFAOYSA-N
XLogP2.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 22221442
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
(3-chlorophenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218662
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-1,2-oxazol-4-amine (CID 82400734) is 5-(3-chlorophenyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1,2-oxazol-4-amine is Nc1cnoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1,2-oxazol-4-amine?
The InChIKey is ICZCUIRXAOGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)9-8(11)5-12-13-9/h1-5H,11H2.
What are the key properties of 5-(3-chlorophenyl)-1,2-oxazol-4-amine?
5-(3-chlorophenyl)-1,2-oxazol-4-amine has a molecular weight of 194.62 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 82400734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).