N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide

C27H26N4O5 — CID 20766557

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cccc3ccccc23)ccc1-c1cnco1
InChIInChI=1S/C27H26N4O5/c1-27(2,15-29-24(32)20-10-6-8-17-7-4-5-9-19(17)20)31-26(34)25(33)30-18-11-12-21(22(13-18)35-3)23-14-28-16-36-23/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyCHDANBAQQSFYAA-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.77
Rot. Bonds7

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide (PubChem CID 20766557) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide
PubChem CID20766557
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cccc3ccccc23)ccc1-c1cnco1
InChIInChI=1S/C27H26N4O5/c1-27(2,15-29-24(32)20-10-6-8-17-7-4-5-9-19(17)20)31-26(34)25(33)30-18-11-12-21(22(13-18)35-3)23-14-28-16-36-23/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyCHDANBAQQSFYAA-UHFFFAOYSA-N
XLogP3.77
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(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-(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-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
N'-[4-(3-acetamidophenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766774
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'-[1-(3-cyanophenoxy)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766640
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
benzyl 3-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]benzoate
CID 10208554
N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22058486

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide (CID 20766557) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cccc3ccccc23)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide?
The InChIKey is CHDANBAQQSFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-27(2,15-29-24(32)20-10-6-8-17-7-4-5-9-19(17)20)31-26(34)25(33)30-18-11-12-21(22(13-18)35-3)23-14-28-16-36-23/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide has a molecular weight of 486.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide is sourced from PubChem (CID 20766557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).