N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine

C17H23N3O2 — CID 3070624

IUPACN-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
SMILESCC(CCN1CCOCC1)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-14(7-8-20-9-11-21-12-10-20)18-17-13-16(19-22-17)15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyJFCPPRNYYLXIGH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.86
Rot. Bonds6

About N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine

N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine (PubChem CID 3070624) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
PubChem CID3070624
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
SMILESCC(CCN1CCOCC1)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-14(7-8-20-9-11-21-12-10-20)18-17-13-16(19-22-17)15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyJFCPPRNYYLXIGH-UHFFFAOYSA-N
XLogP2.86
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine (CID 3070624) is N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine is CC(CCN1CCOCC1)Nc1cc(-c2ccccc2)no1.
What is the InChIKey of N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The InChIKey is JFCPPRNYYLXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14(7-8-20-9-11-21-12-10-20)18-17-13-16(19-22-17)15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3.
What are the key properties of N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine has a molecular weight of 301.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 3070624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).