5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide

C15H14ClN3O2 — CID 155913457

IUPAC5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1noc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1C
InChIInChI=1S/C15H14ClN3O2/c1-7-9(3)19-21-15(7)18-14(20)13-8(2)11-6-10(16)4-5-12(11)17-13/h4-6,17H,1-3H3,(H,18,20)
InChIKeyMLSIWCZKABHBFH-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.99
Rot. Bonds2

About 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide

5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 155913457) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide
PubChem CID155913457
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1noc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1C
InChIInChI=1S/C15H14ClN3O2/c1-7-9(3)19-21-15(7)18-14(20)13-8(2)11-6-10(16)4-5-12(11)17-13/h4-6,17H,1-3H3,(H,18,20)
InChIKeyMLSIWCZKABHBFH-UHFFFAOYSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 65486031
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 91771159
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 162409385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide (CID 155913457) is 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide is Cc1noc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c1C.
What is the InChIKey of 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is MLSIWCZKABHBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-7-9(3)19-21-15(7)18-14(20)13-8(2)11-6-10(16)4-5-12(11)17-13/h4-6,17H,1-3H3,(H,18,20).
What are the key properties of 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide?
5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).