N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H24N4O2 — CID 9464980

IUPACN-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)no1
InChIInChI=1S/C23H24N4O2/c1-15-12-22(26-29-15)23(28)25-13-19(16-8-10-17(11-9-16)27(2)3)20-14-24-21-7-5-4-6-18(20)21/h4-12,14,19,24H,13H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeySNTIDCSJLMSITL-IBGZPJMESA-N
MW388.47 g/mol
LogP4.09
Rot. Bonds6

About N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 9464980) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID9464980
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)no1
InChIInChI=1S/C23H24N4O2/c1-15-12-22(26-29-15)23(28)25-13-19(16-8-10-17(11-9-16)27(2)3)20-14-24-21-7-5-4-6-18(20)21/h4-12,14,19,24H,13H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeySNTIDCSJLMSITL-IBGZPJMESA-N
XLogP4.09
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
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CID 43004905
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 43004910
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41170413
2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethoxy)propanamide
CID 86949984
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 7774673
2-chloro-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 40943129

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 9464980) is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)no1.
What is the InChIKey of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SNTIDCSJLMSITL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-12-22(26-29-15)23(28)25-13-19(16-8-10-17(11-9-16)27(2)3)20-14-24-21-7-5-4-6-18(20)21/h4-12,14,19,24H,13H2,1-3H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 9464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).