N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C22H32N4O4 — CID 90488192

IUPACN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c1
InChIInChI=1S/C22H32N4O4/c1-16(2)15-26(11-9-21(27)23-10-12-25(3)4)22(28)19-14-20(30-24-19)17-7-6-8-18(13-17)29-5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,23,27)
InChIKeySIJLLRWQWNMIKP-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.52
Rot. Bonds11

About N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 90488192) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID90488192
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c1
InChIInChI=1S/C22H32N4O4/c1-16(2)15-26(11-9-21(27)23-10-12-25(3)4)22(28)19-14-20(30-24-19)17-7-6-8-18(13-17)29-5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,23,27)
InChIKeySIJLLRWQWNMIKP-UHFFFAOYSA-N
XLogP2.52
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46111906
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 51070802
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
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5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 93139917
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
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CID 51070099
N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070141
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
5-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 90488192) is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SIJLLRWQWNMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-16(2)15-26(11-9-21(27)23-10-12-25(3)4)22(28)19-14-20(30-24-19)17-7-6-8-18(13-17)29-5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,23,27).
What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90488192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).