N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide

C24H25N3O5 — CID 42793348

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H25N3O5/c28-24(22-23(30-16-25-22)19-4-2-1-3-5-19)27(9-8-26-10-12-29-13-11-26)15-18-6-7-20-21(14-18)32-17-31-20/h1-7,14,16H,8-13,15,17H2
InChIKeyJNBGNZGRUSYGSV-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.04
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 42793348) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID42793348
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H25N3O5/c28-24(22-23(30-16-25-22)19-4-2-1-3-5-19)27(9-8-26-10-12-29-13-11-26)15-18-6-7-20-21(14-18)32-17-31-20/h1-7,14,16H,8-13,15,17H2
InChIKeyJNBGNZGRUSYGSV-UHFFFAOYSA-N
XLogP3.04
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 4199822
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 3318512
(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6278984
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4122907
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42779255
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
CID 42851103
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 4205901

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide (CID 42793348) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide is O=C(c1ncoc1-c1ccccc1)N(CCN1CCOCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is JNBGNZGRUSYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-24(22-23(30-16-25-22)19-4-2-1-3-5-19)27(9-8-26-10-12-29-13-11-26)15-18-6-7-20-21(14-18)32-17-31-20/h1-7,14,16H,8-13,15,17H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42793348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).