N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C22H20ClN3O2 — CID 99813124

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H20ClN3O2/c1-13-21(28-14(2)26-13)22(27)25-12-17(15-7-3-5-9-19(15)23)18-11-24-20-10-6-4-8-16(18)20/h3-11,17,24H,12H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyOBBLOZJUYNWCDU-KRWDZBQOSA-N
MW393.87 g/mol
LogP4.99
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 99813124) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID99813124
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H20ClN3O2/c1-13-21(28-14(2)26-13)22(27)25-12-17(15-7-3-5-9-19(15)23)18-11-24-20-10-6-4-8-16(18)20/h3-11,17,24H,12H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyOBBLOZJUYNWCDU-KRWDZBQOSA-N
XLogP4.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-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-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 35182311
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46972382
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 99813124) is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is OBBLOZJUYNWCDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-21(28-14(2)26-13)22(27)25-12-17(15-7-3-5-9-19(15)23)18-11-24-20-10-6-4-8-16(18)20/h3-11,17,24H,12H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 99813124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).