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

C21H28N4O6 — CID 10181213

IUPACtert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)ccc1-c1cnco1
InChIInChI=1S/C21H28N4O6/c1-20(2,3)31-19(28)23-11-21(4,5)25-18(27)17(26)24-13-7-8-14(15(9-13)29-6)16-10-22-12-30-16/h7-10,12H,11H2,1-6H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyPZSPNTADBBIHTP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.71
Rot. Bonds6

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

tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate (PubChem CID 10181213) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
PubChem CID10181213
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Nametert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)ccc1-c1cnco1
InChIInChI=1S/C21H28N4O6/c1-20(2,3)31-19(28)23-11-21(4,5)25-18(27)17(26)24-13-7-8-14(15(9-13)29-6)16-10-22-12-30-16/h7-10,12H,11H2,1-6H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyPZSPNTADBBIHTP-UHFFFAOYSA-N
XLogP2.71
TPSA131.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 20766988
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'-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766739
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-(naphthalene-1-carbonylamino)propan-2-yl]oxamide
CID 20766557
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-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22058486
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate (CID 10181213) is tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate is COc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)ccc1-c1cnco1.
What is the InChIKey of tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate?
The InChIKey is PZSPNTADBBIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-20(2,3)31-19(28)23-11-21(4,5)25-18(27)17(26)24-13-7-8-14(15(9-13)29-6)16-10-22-12-30-16/h7-10,12H,11H2,1-6H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate?
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate has a molecular weight of 432.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate is sourced from PubChem (CID 10181213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).