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

C12H13ClN2O — CID 115084368

IUPAC3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7-8H,2,5-6,14H2
InChIKeyVAKGFENIBWTOTO-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.89
Rot. Bonds4

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

3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115084368) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115084368
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7-8H,2,5-6,14H2
InChIKeyVAKGFENIBWTOTO-UHFFFAOYSA-N
XLogP2.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-4-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115084817
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 33275835
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 115772256
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine (CID 115084368) is 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine is NCCCc1coc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is VAKGFENIBWTOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7-8H,2,5-6,14H2.
What are the key properties of 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 236.70 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115084368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).