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

C24H29N3O2 — CID 3070625

IUPACN-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
SMILESCC(CCN1CCOCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H29N3O2/c1-20(12-13-26-14-16-28-17-15-26)27(19-21-8-4-2-5-9-21)24-18-23(25-29-24)22-10-6-3-7-11-22/h2-11,18,20H,12-17,19H2,1H3
InChIKeyXEDKHFAWHPAIEH-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.46
Rot. Bonds8

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

N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine (PubChem CID 3070625) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
PubChem CID3070625
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
SMILESCC(CCN1CCOCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H29N3O2/c1-20(12-13-26-14-16-28-17-15-26)27(19-21-8-4-2-5-9-21)24-18-23(25-29-24)22-10-6-3-7-11-22/h2-11,18,20H,12-17,19H2,1H3
InChIKeyXEDKHFAWHPAIEH-UHFFFAOYSA-N
XLogP4.46
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
4-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-morpholine
CID 652190
6-(4-(dimethylamino)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137718
6-(3-(dimethylamino)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137731
Naphthalen-1-ylmethyl-(3-phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-propyl)-amine
CID 44339070
US11091488, Example 27
CID 141707666
N-ethyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 807628
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
(3-Azepin-1-yl-propyl)-(3-methoxy-benzyl)-(3-phenyl-isoxazol-5-yl)-amine
CID 44338875
(3-Chloro-benzyl)-(3-phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-propyl)-amine
CID 44338917
[3-methyl-5-(5-methylisoxazol-3-yl)-1-phenyl-1H-pyrazol-4-yl](morpholino)methanone
CID 2745727
5-Methyl-3-phenylisoxazol-4-yl 1,2,3,4-tetrahydroquinolyl ketone
CID 736339

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine (CID 3070625) is N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine is CC(CCN1CCOCC1)N(Cc1ccccc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
The InChIKey is XEDKHFAWHPAIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-20(12-13-26-14-16-28-17-15-26)27(19-21-8-4-2-5-9-21)24-18-23(25-29-24)22-10-6-3-7-11-22/h2-11,18,20H,12-17,19H2,1H3.
What are the key properties of N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine?
N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine has a molecular weight of 391.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 3070625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).