N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide

C25H22N4O3 — CID 143675808

IUPACN-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
SMILES[H]/N=C(\c1ncco1)c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)ccc1N
InChIInChI=1S/C25H22N4O3/c26-22-11-8-19(15-21(22)24(27)25-28-12-13-31-25)29-23(30)14-17-6-9-20(10-7-17)32-16-18-4-2-1-3-5-18/h1-13,15,27H,14,16,26H2,(H,29,30)/b27-24-
InChIKeyTWLWZJDIDATBCJ-PNHLSOANSA-N
MW426.48 g/mol
LogP4.43
Rot. Bonds8

About N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide

N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 143675808) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID143675808
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
SMILES[H]/N=C(\c1ncco1)c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)ccc1N
InChIInChI=1S/C25H22N4O3/c26-22-11-8-19(15-21(22)24(27)25-28-12-13-31-25)29-23(30)14-17-6-9-20(10-7-17)32-16-18-4-2-1-3-5-18/h1-13,15,27H,14,16,26H2,(H,29,30)/b27-24-
InChIKeyTWLWZJDIDATBCJ-PNHLSOANSA-N
XLogP4.43
TPSA114.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[3-(1,3-oxazol-2-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 24989114
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 2708716
2-(4-phenylmethoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 11775399
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide (CID 143675808) is N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide is [H]/N=C(\c1ncco1)c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)ccc1N.
What is the InChIKey of N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is TWLWZJDIDATBCJ-PNHLSOANSA-N. The full InChI is InChI=1S/C25H22N4O3/c26-22-11-8-19(15-21(22)24(27)25-28-12-13-31-25)29-23(30)14-17-6-9-20(10-7-17)32-16-18-4-2-1-3-5-18/h1-13,15,27H,14,16,26H2,(H,29,30)/b27-24-.
What are the key properties of N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 426.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(1,3-oxazole-2-carboximidoyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 143675808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).