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

C16H21ClN2O — CID 79040582

IUPAC1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1c(C)noc1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-5-15(13-6-8-14(17)9-7-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3
InChIKeyBNHLZUDDCYWDKM-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.75
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine (PubChem CID 79040582) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
PubChem CID79040582
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1c(C)noc1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-5-15(13-6-8-14(17)9-7-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3
InChIKeyBNHLZUDDCYWDKM-UHFFFAOYSA-N
XLogP4.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79236634
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75441563
2-[1-[1-(4-chlorophenyl)propylamino]ethyl]benzene-1,3-diol
CID 107710624
(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 97333530
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 79236329
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[1-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 56822533

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine (CID 79040582) is 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine is CCC(NC(C)c1c(C)noc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The InChIKey is BNHLZUDDCYWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-5-15(13-6-8-14(17)9-7-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79040582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).