N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide

C19H17N3O4 — CID 10338010

IUPACN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C19H17N3O4/c1-25-16-9-14(7-8-15(16)17-11-20-12-26-17)22-19(24)10-18(23)21-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUKWZOWCEYYIFMH-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.32
Rot. Bonds6

About N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide (PubChem CID 10338010) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
PubChem CID10338010
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C19H17N3O4/c1-25-16-9-14(7-8-15(16)17-11-20-12-26-17)22-19(24)10-18(23)21-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUKWZOWCEYYIFMH-UHFFFAOYSA-N
XLogP3.32
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
CID 20766427
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
N'-[3-(aminomethyl)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide;2,2,2-trifluoroacetic acid
CID 22558403
2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177366
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
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
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-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide?
The IUPAC name of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide (CID 10338010) is N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide.
What is the SMILES notation for N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide?
The canonical SMILES for N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide is COc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1.
What is the InChIKey of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide?
The InChIKey is UKWZOWCEYYIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-16-9-14(7-8-15(16)17-11-20-12-26-17)22-19(24)10-18(23)21-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide?
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide has a molecular weight of 351.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide is sourced from PubChem (CID 10338010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).