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

C12H15ClN2O — CID 115060985

IUPAC3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyLRAJSAPBBWKAKE-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.22
Rot. Bonds4

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

3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115060985) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115060985
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyLRAJSAPBBWKAKE-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060984
3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060988
4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 136982327
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
2-(3-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,3-oxazol-4-amine
CID 134892779
benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175
3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
CID 115061130
(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 25010982
2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide
CID 70592744
3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 174694960

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115060985) is 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is NCCCC1COC(c2cccc(Cl)c2)=N1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is LRAJSAPBBWKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-4-1-3-9(7-10)12-15-11(8-16-12)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2.
What are the key properties of 3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 238.72 g/mol, XLogP of 2.22, 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)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115060985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).