(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide

C23H25BrN2O4 — CID 23864109

IUPAC(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)[C@@]1(Cc2ccccc2Br)COC(c2ccc(OCCCO)cc2)=N1
InChIInChI=1S/C23H25BrN2O4/c24-20-5-2-1-4-17(20)14-23(22(28)25-18-8-9-18)15-30-21(26-23)16-6-10-19(11-7-16)29-13-3-12-27/h1-2,4-7,10-11,18,27H,3,8-9,12-15H2,(H,25,28)/t23-/m1/s1
InChIKeyAXGMDYMLZHMRKZ-HSZRJFAPSA-N
MW473.37 g/mol
LogP3.25
Rot. Bonds9

About (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide

(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (PubChem CID 23864109) has the molecular formula C23H25BrN2O4 and a molecular weight of 473.37 g/mol. Its IUPAC name is (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
PubChem CID23864109
Molecular FormulaC23H25BrN2O4
Molecular Weight473.37 g/mol
Exact Mass472.10
IUPAC Name(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)[C@@]1(Cc2ccccc2Br)COC(c2ccc(OCCCO)cc2)=N1
InChIInChI=1S/C23H25BrN2O4/c24-20-5-2-1-4-17(20)14-23(22(28)25-18-8-9-18)15-30-21(26-23)16-6-10-19(11-7-16)29-13-3-12-27/h1-2,4-7,10-11,18,27H,3,8-9,12-15H2,(H,25,28)/t23-/m1/s1
InChIKeyAXGMDYMLZHMRKZ-HSZRJFAPSA-N
XLogP3.25
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide 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

(4S)-4-[(2-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-N'-pentyl-5H-1,3-oxazole-4-carbohydrazide
CID 23891659
(4R)-4-[[2-(azidomethyl)phenyl]methyl]-N-(4-hydroxycyclohexyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23835167
(4R)-4-[(2-bromophenyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23947831
(4S)-4-[(2-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-N'-[2-(4-methylphenyl)ethyl]-5H-1,3-oxazole-4-carbohydrazide
CID 23975152
(4R)-4-[(2-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide
CID 23835187
(4R)-4-[(2-bromophenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23778051
(4R)-4-[(2-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]-5H-1,3-oxazole-4-carboxamide
CID 23778042
(4R)-4-[(4-bromophenyl)methyl]-N-(9H-fluoren-9-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23835806
(4S)-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-N'-methyl-5H-1,3-oxazole-4-carbohydrazide
CID 23975684
(4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23863479
(4R)-4-[(4-bromophenyl)methyl]-N-[(2-fluorophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23777391
methyl (4R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxylate
CID 24868566

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (CID 23864109) is (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is O=C(NC1CC1)[C@@]1(Cc2ccccc2Br)COC(c2ccc(OCCCO)cc2)=N1.
What is the InChIKey of (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide?
The InChIKey is AXGMDYMLZHMRKZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25BrN2O4/c24-20-5-2-1-4-17(20)14-23(22(28)25-18-8-9-18)15-30-21(26-23)16-6-10-19(11-7-16)29-13-3-12-27/h1-2,4-7,10-11,18,27H,3,8-9,12-15H2,(H,25,28)/t23-/m1/s1.
What are the key properties of (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide?
(4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide has a molecular weight of 473.37 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-bromophenyl)methyl]-N-cyclopropyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23864109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).