tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate

C24H26N4O6 — CID 20766988

IUPACtert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1-c1cnco1
InChIInChI=1S/C24H26N4O6/c1-24(2,3)34-23(31)26-12-15-5-7-16(8-6-15)27-21(29)22(30)28-17-9-10-18(19(11-17)32-4)20-13-25-14-33-20/h5-11,13-14H,12H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyAVAHZDJBXJOVKL-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.95
Rot. Bonds6

About tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate (PubChem CID 20766988) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
PubChem CID20766988
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Nametert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1-c1cnco1
InChIInChI=1S/C24H26N4O6/c1-24(2,3)34-23(31)26-12-15-5-7-16(8-6-15)27-21(29)22(30)28-17-9-10-18(19(11-17)32-4)20-13-25-14-33-20/h5-11,13-14H,12H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyAVAHZDJBXJOVKL-UHFFFAOYSA-N
XLogP3.95
TPSA131.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22058486
N'-[1-[4-(3,3-dimethylbutanoylamino)phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766676
N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766678
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
CID 20766904
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
tert-butyl 2-[4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]piperazin-1-yl]acetate
CID 20766965
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate (CID 20766988) is tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate is COc1cc(NC(=O)C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1-c1cnco1.
What is the InChIKey of tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The InChIKey is AVAHZDJBXJOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-24(2,3)34-23(31)26-12-15-5-7-16(8-6-15)27-21(29)22(30)28-17-9-10-18(19(11-17)32-4)20-13-25-14-33-20/h5-11,13-14H,12H2,1-4H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate has a molecular weight of 466.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 20766988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).