3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine

C18H17ClN2O — CID 14023457

IUPAC3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine
SMILESNCCCc1onc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16(22-21-18)7-4-12-20/h1-3,5-6,8-11H,4,7,12,20H2
InChIKeyHXJLFCCVEBARLZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.55
Rot. Bonds5

About 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine

3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 14023457) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine
PubChem CID14023457
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine
SMILESNCCCc1onc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16(22-21-18)7-4-12-20/h1-3,5-6,8-11H,4,7,12,20H2
InChIKeyHXJLFCCVEBARLZ-UHFFFAOYSA-N
XLogP4.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
methyl 8-[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]octanoate
CID 163249478
[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
CID 83850903
5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
CID 135031963
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate
CID 102061545
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471
2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
CID 67695410
1-chloro-4-phenylbenzene;ethanamine
CID 174641678

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine (CID 14023457) is 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine is NCCCc1onc(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is HXJLFCCVEBARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16(22-21-18)7-4-12-20/h1-3,5-6,8-11H,4,7,12,20H2.
What are the key properties of 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine?
3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 312.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 14023457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).