2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide

C20H18ClN3O2 — CID 155945110

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)ccc2o1
InChIInChI=1S/C20H18ClN3O2/c1-11(2)20-24-17-9-14(4-6-18(17)26-20)23-19(25)7-12-10-22-16-8-13(21)3-5-15(12)16/h3-6,8-11,22H,7H2,1-2H3,(H,23,25)
InChIKeyYZROPMXQHYRUPF-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.27
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 155945110) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID155945110
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)ccc2o1
InChIInChI=1S/C20H18ClN3O2/c1-11(2)20-24-17-9-14(4-6-18(17)26-20)23-19(25)7-12-10-22-16-8-13(21)3-5-15(12)16/h3-6,8-11,22H,7H2,1-2H3,(H,23,25)
InChIKeyYZROPMXQHYRUPF-UHFFFAOYSA-N
XLogP5.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 17402933
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (CID 155945110) is 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)ccc2o1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is YZROPMXQHYRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-11(2)20-24-17-9-14(4-6-18(17)26-20)23-19(25)7-12-10-22-16-8-13(21)3-5-15(12)16/h3-6,8-11,22H,7H2,1-2H3,(H,23,25).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 367.84 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 155945110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).