N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide

C22H21N3O4 — CID 155925909

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O
InChIInChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyIXWUILRSNIQHDM-QGZVFWFLSA-N
MW391.43 g/mol
LogP3.17
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 155925909) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
PubChem CID155925909
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O
InChIInChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyIXWUILRSNIQHDM-QGZVFWFLSA-N
XLogP3.17
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-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

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
4-{4-[(diethylamino)methyl]phenyl}-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135404982
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-butan-2-yl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
CID 5307591
N-cyclopentyl-5-(2-hydroxyphenyl)-3-isoxazolecarboxamide
CID 135573170
N-cyclohexyl-5-(2-hydroxyphenyl)-3-isoxazolecarboxamide
CID 135573172
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-hydroxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 44191580
N-[3-[[2-(2-hydroxyphenyl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 60167663
3-[3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-5-isoxazolyl]phenol
CID 5308837
4-(Diphenylmethyl)piperazinyl 5-(3-hydroxyphenyl)isoxazol-3-yl ketone
CID 5309420
N-benzyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5309594
N-cyclopentyl-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 126458124

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide (CID 155925909) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IXWUILRSNIQHDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155925909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).