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

C18H17N3O5 — CID 20766904

IUPACN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2ccc(C)o2)ccc1-c1cnco1
InChIInChI=1S/C18H17N3O5/c1-11-3-5-13(26-11)8-20-17(22)18(23)21-12-4-6-14(15(7-12)24-2)16-9-19-10-25-16/h3-7,9-10H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJMHKFRYSBLRMCU-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.51
Rot. Bonds5

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

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide (PubChem CID 20766904) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
PubChem CID20766904
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2ccc(C)o2)ccc1-c1cnco1
InChIInChI=1S/C18H17N3O5/c1-11-3-5-13(26-11)8-20-17(22)18(23)21-12-4-6-14(15(7-12)24-2)16-9-19-10-25-16/h3-7,9-10H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJMHKFRYSBLRMCU-UHFFFAOYSA-N
XLogP2.51
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
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
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766799
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
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'-[2-methyl-1-[(2-methylfuran-3-carbonyl)amino]propan-2-yl]oxamide
CID 20766511

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide (CID 20766904) is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide is COc1cc(NC(=O)C(=O)NCc2ccc(C)o2)ccc1-c1cnco1.
What is the InChIKey of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide?
The InChIKey is JMHKFRYSBLRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-11-3-5-13(26-11)8-20-17(22)18(23)21-12-4-6-14(15(7-12)24-2)16-9-19-10-25-16/h3-7,9-10H,8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide?
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide has a molecular weight of 355.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 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-[(5-methylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 20766904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).