N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C16H19ClN2O — CID 107100479

IUPACN-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCc1c(Cl)cccc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C16H19ClN2O/c1-11-13(4-2-5-14(11)17)15-10-19-16(20-15)6-3-9-18-12-7-8-12/h2,4-5,10,12,18H,3,6-9H2,1H3
InChIKeyBSSIKWKEULTFMF-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.99
Rot. Bonds6

About N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 107100479) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID107100479
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCc1c(Cl)cccc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C16H19ClN2O/c1-11-13(4-2-5-14(11)17)15-10-19-16(20-15)6-3-9-18-12-7-8-12/h2,4-5,10,12,18H,3,6-9H2,1H3
InChIKeyBSSIKWKEULTFMF-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 107100477
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186990
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
N-[2-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182202
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186997
N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 66120698

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 107100479) is N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is Cc1c(Cl)cccc1-c1cnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is BSSIKWKEULTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-13(4-2-5-14(11)17)15-10-19-16(20-15)6-3-9-18-12-7-8-12/h2,4-5,10,12,18H,3,6-9H2,1H3.
What are the key properties of N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 290.79 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 107100479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).