(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide

C24H27BrN2O4 — CID 23976126

IUPAC(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
SMILESC=CC[C@@]1(C(=O)N(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1Br
InChIInChI=1S/C24H27BrN2O4/c1-4-14-24(23(29)27(2)3)21(19-8-5-6-9-20(19)25)31-22(26-24)17-10-12-18(13-11-17)30-16-7-15-28/h4-6,8-13,21,28H,1,7,14-16H2,2-3H3/t21-,24-/m1/s1
InChIKeyRUVMHGURUWRHAA-ZJSXRUAMSA-N
MW487.39 g/mol
LogP4.13
Rot. Bonds9

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

(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 23976126) has the molecular formula C24H27BrN2O4 and a molecular weight of 487.39 g/mol. Its IUPAC name is (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
PubChem CID23976126
Molecular FormulaC24H27BrN2O4
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
SMILESC=CC[C@@]1(C(=O)N(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1Br
InChIInChI=1S/C24H27BrN2O4/c1-4-14-24(23(29)27(2)3)21(19-8-5-6-9-20(19)25)31-22(26-24)17-10-12-18(13-11-17)30-16-7-15-28/h4-6,8-13,21,28H,1,7,14-16H2,2-3H3/t21-,24-/m1/s1
InChIKeyRUVMHGURUWRHAA-ZJSXRUAMSA-N
XLogP4.13
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-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

(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide
CID 23920154
(4S,5S)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N'-[2-(4-methylphenyl)ethyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23777994
(4S,5S)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N'-(3-phenylpropyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23748964
(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methoxyphenyl)ethyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23947381
(4S,5S)-5-(2-bromophenyl)-N'-[(1-hydroxycyclohexyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23748963
(4S,5S)-N'-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23778005
(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23835401
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 24868521
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-N-methyl-5-(4-phenylphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23749307
tert-butyl 3-[(4S,5S)-5-(2-bromophenyl)-4-(dimethylaminocarbamoyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazol-4-yl]propanoate
CID 23975801
(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-N'-methyl-5-(4-phenylphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23806412
(4R,5R)-4-benzyl-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-(3-methoxypropyl)-5H-1,3-oxazole-4-carboxamide
CID 23892112

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide (CID 23976126) is (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide is C=CC[C@@]1(C(=O)N(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1Br.
What is the InChIKey of (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide?
The InChIKey is RUVMHGURUWRHAA-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H27BrN2O4/c1-4-14-24(23(29)27(2)3)21(19-8-5-6-9-20(19)25)31-22(26-24)17-10-12-18(13-11-17)30-16-7-15-28/h4-6,8-13,21,28H,1,7,14-16H2,2-3H3/t21-,24-/m1/s1.
What are the key properties of (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide?
(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N,N-dimethyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23976126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).