(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate

C26H25N3O4 — CID 66731262

IUPAC(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
SMILESCc1cc(OC(=O)Nc2ccc(Oc3ccc(CCNCc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C26H25N3O4/c1-19-17-25(29-33-19)32-26(30)28-22-9-13-24(14-10-22)31-23-11-7-20(8-12-23)15-16-27-18-21-5-3-2-4-6-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30)
InChIKeyUKFIZWVWMKWPIJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.72
Rot. Bonds9

About (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate

(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate (PubChem CID 66731262) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
PubChem CID66731262
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
SMILESCc1cc(OC(=O)Nc2ccc(Oc3ccc(CCNCc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C26H25N3O4/c1-19-17-25(29-33-19)32-26(30)28-22-9-13-24(14-10-22)31-23-11-7-20(8-12-23)15-16-27-18-21-5-3-2-4-6-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30)
InChIKeyUKFIZWVWMKWPIJ-UHFFFAOYSA-N
XLogP5.72
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
CID 11597008
4-[4-[2-(benzylamino)ethyl]phenoxy]benzamide;N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]-2-tert-butyl-5-methylpyrazole-3-carboxamide;5-methyl-1,2-oxazole-3-carboxylic acid
CID 87886201
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
CID 59730284
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
[6-[2-(benzylamino)ethyl]naphthalen-2-yl] acetate;hydrobromide
CID 70551589
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
N,N-diethyl-4-[(2-phenylethylamino)methyl]aniline;oxalic acid
CID 163327241
phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
CID 110188496

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate (CID 66731262) is (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate is Cc1cc(OC(=O)Nc2ccc(Oc3ccc(CCNCc4ccccc4)cc3)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate?
The InChIKey is UKFIZWVWMKWPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-19-17-25(29-33-19)32-26(30)28-22-9-13-24(14-10-22)31-23-11-7-20(8-12-23)15-16-27-18-21-5-3-2-4-6-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30).
What are the key properties of (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate?
(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate has a molecular weight of 443.50 g/mol, XLogP of 5.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate is sourced from PubChem (CID 66731262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).