1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine

C22H23N3O4 — CID 46014698

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2noc(N3CCOCC3)c2CNCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23N3O4/c1-2-4-17(5-3-1)21-18(22(29-24-21)25-8-10-26-11-9-25)14-23-13-16-6-7-19-20(12-16)28-15-27-19/h1-7,12,23H,8-11,13-15H2
InChIKeyDTNHLSCOXPWIJD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.20
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine

1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 46014698) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID46014698
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2noc(N3CCOCC3)c2CNCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C22H23N3O4/c1-2-4-17(5-3-1)21-18(22(29-24-21)25-8-10-26-11-9-25)14-23-13-16-6-7-19-20(12-16)28-15-27-19/h1-7,12,23H,8-11,13-15H2
InChIKeyDTNHLSCOXPWIJD-UHFFFAOYSA-N
XLogP3.20
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
CID 24718053
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CID 124811710
N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 24714737
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929
1-(1,3-benzodioxol-5-yl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 4718012
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
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CID 175520368
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropylmethanamine
CID 56668438
2-[(1,3-benzodioxol-5-ylmethylamino)methyl]benzoic acid
CID 17157857

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine (CID 46014698) is 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine is c1ccc(-c2noc(N3CCOCC3)c2CNCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is DTNHLSCOXPWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-4-17(5-3-1)21-18(22(29-24-21)25-8-10-26-11-9-25)14-23-13-16-6-7-19-20(12-16)28-15-27-19/h1-7,12,23H,8-11,13-15H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine?
1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 393.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 46014698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).