5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline

C20H27N3O3 — CID 5271238

IUPAC5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2N(C)C)on1
InChIInChI=1S/C20H27N3O3/c1-15-13-17(26-22-15)7-5-4-6-11-24-19-9-8-16(14-18(19)23(2)3)20-21-10-12-25-20/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyGAPHJWKZCXHWPB-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.62
Rot. Bonds9

About 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline

5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline (PubChem CID 5271238) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline
PubChem CID5271238
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2N(C)C)on1
InChIInChI=1S/C20H27N3O3/c1-15-13-17(26-22-15)7-5-4-6-11-24-19-9-8-16(14-18(19)23(2)3)20-21-10-12-25-20/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyGAPHJWKZCXHWPB-UHFFFAOYSA-N
XLogP3.62
TPSA60.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline?
The IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline (CID 5271238) is 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline.
What is the SMILES notation for 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline?
The canonical SMILES for 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline is Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2N(C)C)on1.
What is the InChIKey of 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline?
The InChIKey is GAPHJWKZCXHWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-13-17(26-22-15)7-5-4-6-11-24-19-9-8-16(14-18(19)23(2)3)20-21-10-12-25-20/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline?
5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline has a molecular weight of 357.45 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline is sourced from PubChem (CID 5271238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).