N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C20H25N5O6 — CID 22058486

IUPACN'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C(=O)NCCNC(C)=O)ccc1-c1cnco1
InChIInChI=1S/C20H25N5O6/c1-12(26)22-7-8-23-19(29)20(2,3)25-18(28)17(27)24-13-5-6-14(15(9-13)30-4)16-10-21-11-31-16/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,29)(H,24,27)(H,25,28)
InChIKeyODIKCSMRBJZYMQ-UHFFFAOYSA-N
MW431.45 g/mol
LogP0.44
Rot. Bonds8

About N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 22058486) has the molecular formula C20H25N5O6 and a molecular weight of 431.45 g/mol. Its IUPAC name is N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID22058486
Molecular FormulaC20H25N5O6
Molecular Weight431.45 g/mol
Exact Mass431.18
IUPAC NameN'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C(=O)NCCNC(C)=O)ccc1-c1cnco1
InChIInChI=1S/C20H25N5O6/c1-12(26)22-7-8-23-19(29)20(2,3)25-18(28)17(27)24-13-5-6-14(15(9-13)30-4)16-10-21-11-31-16/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,29)(H,24,27)(H,25,28)
InChIKeyODIKCSMRBJZYMQ-UHFFFAOYSA-N
XLogP0.44
TPSA151.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 20766988
N'-[4-(3-acetamidophenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766774
ethyl 4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropanoyl]piperazine-1-carboxylate
CID 67047114
N'-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766739
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-methylfuran-3-carbonyl)amino]propan-2-yl]oxamide
CID 20766511
N'-[4-(2-acetamido-5-methylphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766766
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N'-[1-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766622

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 22058486) is N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)C(=O)NCCNC(C)=O)ccc1-c1cnco1.
What is the InChIKey of N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is ODIKCSMRBJZYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6/c1-12(26)22-7-8-23-19(29)20(2,3)25-18(28)17(27)24-13-5-6-14(15(9-13)30-4)16-10-21-11-31-16/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,29)(H,24,27)(H,25,28).
What are the key properties of N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 431.45 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 22058486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).