N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C18H19N3O5 — CID 20766799

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NCC2CCC=CO2)ccc1-c1cnco1
InChIInChI=1S/C18H19N3O5/c1-24-15-8-12(5-6-14(15)16-10-19-11-26-16)21-18(23)17(22)20-9-13-4-2-3-7-25-13/h3,5-8,10-11,13H,2,4,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyKYGIFAULMQXOCJ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.10
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766799) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766799
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NCC2CCC=CO2)ccc1-c1cnco1
InChIInChI=1S/C18H19N3O5/c1-24-15-8-12(5-6-14(15)16-10-19-11-26-16)21-18(23)17(22)20-9-13-4-2-3-7-25-13/h3,5-8,10-11,13H,2,4,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyKYGIFAULMQXOCJ-UHFFFAOYSA-N
XLogP2.10
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.10
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

N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
CID 20766904
N'-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766739
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177366
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213
N'-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22058486
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-phenylpropanediamide
CID 10338010
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]oxamide
CID 22558383

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766799) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NCC2CCC=CO2)ccc1-c1cnco1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is KYGIFAULMQXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-24-15-8-12(5-6-14(15)16-10-19-11-26-16)21-18(23)17(22)20-9-13-4-2-3-7-25-13/h3,5-8,10-11,13H,2,4,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 357.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).