4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline

C17H24N2O2 — CID 154508032

IUPAC4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline
SMILESCOCCCCCc1cnc(-c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C17H24N2O2/c1-19(2)15-10-8-14(9-11-15)17-18-13-16(21-17)7-5-4-6-12-20-3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyHJQDNAQOZMCVMB-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.77
Rot. Bonds8

About 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline

4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline (PubChem CID 154508032) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline
PubChem CID154508032
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline
SMILESCOCCCCCc1cnc(-c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C17H24N2O2/c1-19(2)15-10-8-14(9-11-15)17-18-13-16(21-17)7-5-4-6-12-20-3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyHJQDNAQOZMCVMB-UHFFFAOYSA-N
XLogP3.77
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003028
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
CID 171976930
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101081658
4-hexoxy-N,N-dimethylaniline
CID 19782341
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3-[[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]sulfonylamino]propanamide
CID 66871362
4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 144970947
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole
CID 515337

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline (CID 154508032) is 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline is COCCCCCc1cnc(-c2ccc(N(C)C)cc2)o1.
What is the InChIKey of 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline?
The InChIKey is HJQDNAQOZMCVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(2)15-10-8-14(9-11-15)17-18-13-16(21-17)7-5-4-6-12-20-3/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline?
4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline has a molecular weight of 288.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 154508032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).