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

C24H29N3O — CID 13261927

IUPACN-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCC(CCN1CCCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H29N3O/c1-20(14-17-26-15-8-9-16-26)27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3
InChIKeyMDOZDAWHOYYLEP-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.22
Rot. Bonds8

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

N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine (PubChem CID 13261927) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine
PubChem CID13261927
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCC(CCN1CCCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H29N3O/c1-20(14-17-26-15-8-9-16-26)27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3
InChIKeyMDOZDAWHOYYLEP-UHFFFAOYSA-N
XLogP5.22
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine (CID 13261927) is N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine is CC(CCN1CCCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine?
The InChIKey is MDOZDAWHOYYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-20(14-17-26-15-8-9-16-26)27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3.
What are the key properties of N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine?
N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine has a molecular weight of 375.52 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 13261927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).