N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide

C18H15N3O4 — CID 9949676

IUPACN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenyloxamide
SMILESCOC1=C(C=CC(=C1)NC(=O)C(=O)NC2=CC=CC=C2)C3=CN=CO3
InChIInChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyIAFBISFLCSPTNV-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.40
Rot. Bonds4

About N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide

N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide (PubChem CID 9949676) has the molecular formula C18H15N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenyloxamide.

Molecular Properties

Compound NameN-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide
PubChem CID9949676
Molecular FormulaC18H15N3O4
Molecular Weight337.30 g/mol
Exact Mass337.11
IUPAC NameN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenyloxamide
SMILESCOC1=C(C=CC(=C1)NC(=O)C(=O)NC2=CC=CC=C2)C3=CN=CO3
InChIInChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyIAFBISFLCSPTNV-UHFFFAOYSA-N
XLogP2.40
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity467

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Merimepodib
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Avn 944
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N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 86582964
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506686
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
3-Methoxy-4-(oxazol-5-yl)aniline
CID 15462732
tetrahydrofuran-3-yl N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate
CID 11964344

Frequently Asked Questions

What is the IUPAC name of N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide?
The IUPAC name of N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide (CID 9949676) is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenyloxamide.
What is the SMILES notation for N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide?
The canonical SMILES for N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide is COC1=C(C=CC(=C1)NC(=O)C(=O)NC2=CC=CC=C2)C3=CN=CO3.
What is the InChIKey of N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide?
The InChIKey is IAFBISFLCSPTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide?
N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide has a molecular weight of 337.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide is sourced from PubChem (CID 9949676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).