N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

C24H24ClN3O5 — CID 50754403

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C24H24ClN3O5/c25-18-4-1-16(2-5-18)20(28-7-9-30-10-8-28)15-26-24(29)19-14-22(33-27-19)17-3-6-21-23(13-17)32-12-11-31-21/h1-6,13-14,20H,7-12,15H2,(H,26,29)
InChIKeyBDNMBNRSZPYUJB-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 50754403) has the molecular formula C24H24ClN3O5 and a molecular weight of 469.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID50754403
Molecular FormulaC24H24ClN3O5
Molecular Weight469.93 g/mol
Exact Mass469.14
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C24H24ClN3O5/c25-18-4-1-16(2-5-18)20(28-7-9-30-10-8-28)15-26-24(29)19-14-22(33-27-19)17-3-6-21-23(13-17)32-12-11-31-21/h1-6,13-14,20H,7-12,15H2,(H,26,29)
InChIKeyBDNMBNRSZPYUJB-UHFFFAOYSA-N
XLogP3.57
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 45132925
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866937
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867171
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 139582697
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 45132937
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867348
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39865815
N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 39868162
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 22509505

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide (CID 50754403) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BDNMBNRSZPYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5/c25-18-4-1-16(2-5-18)20(28-7-9-30-10-8-28)15-26-24(29)19-14-22(33-27-19)17-3-6-21-23(13-17)32-12-11-31-21/h1-6,13-14,20H,7-12,15H2,(H,26,29).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50754403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).