3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H24ClN3O3 — CID 90558002

IUPAC3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C23H24ClN3O3/c1-14-21(22(26-30-14)17-6-4-5-7-18(17)24)23(28)25-13-19(27(2)3)15-8-9-20-16(12-15)10-11-29-20/h4-9,12,19H,10-11,13H2,1-3H3,(H,25,28)
InChIKeyMBZGLLNPFAKMHU-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.27
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 90558002) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID90558002
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C23H24ClN3O3/c1-14-21(22(26-30-14)17-6-4-5-7-18(17)24)23(28)25-13-19(27(2)3)15-8-9-20-16(12-15)10-11-29-20/h4-9,12,19H,10-11,13H2,1-3H3,(H,25,28)
InChIKeyMBZGLLNPFAKMHU-UHFFFAOYSA-N
XLogP4.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764465
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3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90613410
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CID 30575417
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-2-carboxamide
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N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 71798196
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide
CID 90557945
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903
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CID 90557936

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 90558002) is 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(c1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MBZGLLNPFAKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14-21(22(26-30-14)17-6-4-5-7-18(17)24)23(28)25-13-19(27(2)3)15-8-9-20-16(12-15)10-11-29-20/h4-9,12,19H,10-11,13H2,1-3H3,(H,25,28).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90558002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).