N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine

C16H21ClN2O2 — CID 65182657

IUPACN-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cl)cc1-c1cnc(CCNCC(C)C)o1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)9-18-7-6-16-19-10-15(21-16)13-8-12(17)4-5-14(13)20-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyXQLPVFICPHAFHF-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine

N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 65182657) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
PubChem CID65182657
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cl)cc1-c1cnc(CCNCC(C)C)o1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)9-18-7-6-16-19-10-15(21-16)13-8-12(17)4-5-14(13)20-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyXQLPVFICPHAFHF-UHFFFAOYSA-N
XLogP3.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81461939
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187028
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187006
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (CID 65182657) is N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is COc1ccc(Cl)cc1-c1cnc(CCNCC(C)C)o1.
What is the InChIKey of N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is XQLPVFICPHAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(2)9-18-7-6-16-19-10-15(21-16)13-8-12(17)4-5-14(13)20-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).