3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid

C24H27N3O6 — CID 174238950

IUPAC3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid
SMILESCC(C)(c1ccc(OCCCNC(=O)O)cc1)c1ccc(OCc2nc(C(N)=O)co2)cc1
InChIInChI=1S/C24H27N3O6/c1-24(2,16-4-8-18(9-5-16)31-13-3-12-26-23(29)30)17-6-10-19(11-7-17)32-15-21-27-20(14-33-21)22(25)28/h4-11,14,26H,3,12-13,15H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeyVOMXNAYZYGKGDS-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.71
Rot. Bonds11

About 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid

3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid (PubChem CID 174238950) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid.

Molecular Properties

Compound Name3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid
PubChem CID174238950
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid
SMILESCC(C)(c1ccc(OCCCNC(=O)O)cc1)c1ccc(OCc2nc(C(N)=O)co2)cc1
InChIInChI=1S/C24H27N3O6/c1-24(2,16-4-8-18(9-5-16)31-13-3-12-26-23(29)30)17-6-10-19(11-7-17)32-15-21-27-20(14-33-21)22(25)28/h4-11,14,26H,3,12-13,15H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeyVOMXNAYZYGKGDS-UHFFFAOYSA-N
XLogP3.71
TPSA136.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-[4-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]propan-2-yl]phenoxy]propyl carbamate
CID 174238832
4-[8-[4-[2-[4-[(2-chloropyrimidin-5-yl)methoxy]phenyl]propan-2-yl]phenoxy]octoxy]butylcarbamic acid
CID 174238913
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
tert-butyl N-[3-[4-[2-[4-[[3-(dimethylcarbamoyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propan-2-yl]phenoxy]propyl]carbamate
CID 167437371
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
CID 167437352
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 167809217
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42348179
tert-butyl N-[3-[4-[2-[4-[[2-(triazol-1-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]propyl]carbamate
CID 167437241

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid?
The IUPAC name of 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid (CID 174238950) is 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid.
What is the SMILES notation for 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid?
The canonical SMILES for 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid is CC(C)(c1ccc(OCCCNC(=O)O)cc1)c1ccc(OCc2nc(C(N)=O)co2)cc1.
What is the InChIKey of 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid?
The InChIKey is VOMXNAYZYGKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-24(2,16-4-8-18(9-5-16)31-13-3-12-26-23(29)30)17-6-10-19(11-7-17)32-15-21-27-20(14-33-21)22(25)28/h4-11,14,26H,3,12-13,15H2,1-2H3,(H2,25,28)(H,29,30).
What are the key properties of 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid?
3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid has a molecular weight of 453.50 g/mol, XLogP of 3.71, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid is sourced from PubChem (CID 174238950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).