N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide

C30H37N3O2 — CID 25101527

IUPACN-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide
SMILESCc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2Cc2c(C)noc2C)c1
InChIInChI=1S/C30H37N3O2/c1-18-12-19(2)14-22(13-18)27-16-23-15-24(30(8,9)28(34)31-29(5,6)7)10-11-26(23)33(27)17-25-20(3)32-35-21(25)4/h10-16H,17H2,1-9H3,(H,31,34)
InChIKeyYMTRVXQPSPPPID-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.77
Rot. Bonds5

About N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide

N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide (PubChem CID 25101527) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide
PubChem CID25101527
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide
SMILESCc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2Cc2c(C)noc2C)c1
InChIInChI=1S/C30H37N3O2/c1-18-12-19(2)14-22(13-18)27-16-23-15-24(30(8,9)28(34)31-29(5,6)7)10-11-26(23)33(27)17-25-20(3)32-35-21(25)4/h10-16H,17H2,1-9H3,(H,31,34)
InChIKeyYMTRVXQPSPPPID-UHFFFAOYSA-N
XLogP6.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide (CID 25101527) is N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide is Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2Cc2c(C)noc2C)c1.
What is the InChIKey of N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide?
The InChIKey is YMTRVXQPSPPPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-18-12-19(2)14-22(13-18)27-16-23-15-24(30(8,9)28(34)31-29(5,6)7)10-11-26(23)33(27)17-25-20(3)32-35-21(25)4/h10-16H,17H2,1-9H3,(H,31,34).
What are the key properties of N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide?
N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide has a molecular weight of 471.65 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 25101527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).