4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C18H21N3O2 — CID 38304184

IUPAC4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)no1
InChIInChI=1S/C18H21N3O2/c1-13-10-15(20-23-13)12-21(2)18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-11,19H,5-6,9,12H2,1-2H3
InChIKeySSPKMAKAIFVCQZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.45
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 38304184) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID38304184
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)no1
InChIInChI=1S/C18H21N3O2/c1-13-10-15(20-23-13)12-21(2)18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-11,19H,5-6,9,12H2,1-2H3
InChIKeySSPKMAKAIFVCQZ-UHFFFAOYSA-N
XLogP3.45
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 19454245
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51119861
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 38304184) is 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is Cc1cc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)no1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is SSPKMAKAIFVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-10-15(20-23-13)12-21(2)18(22)9-5-6-14-11-19-17-8-4-3-7-16(14)17/h3-4,7-8,10-11,19H,5-6,9,12H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 311.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 38304184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).