3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide

C16H16ClN3O2 — CID 86822495

IUPAC3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
SMILESCc1nc(CNC(=O)c2c(Cl)c3ccccc3n2C)oc1C
InChIInChI=1S/C16H16ClN3O2/c1-9-10(2)22-13(19-9)8-18-16(21)15-14(17)11-6-4-5-7-12(11)20(15)3/h4-7H,8H2,1-3H3,(H,18,21)
InChIKeyFHFAKGCISOQQHK-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.37
Rot. Bonds3

About 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide

3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide (PubChem CID 86822495) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
PubChem CID86822495
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
SMILESCc1nc(CNC(=O)c2c(Cl)c3ccccc3n2C)oc1C
InChIInChI=1S/C16H16ClN3O2/c1-9-10(2)22-13(19-9)8-18-16(21)15-14(17)11-6-4-5-7-12(11)20(15)3/h4-7H,8H2,1-3H3,(H,18,21)
InChIKeyFHFAKGCISOQQHK-UHFFFAOYSA-N
XLogP3.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
CID 87043777
2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 87043322
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 51123400
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86822466
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313
3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 71896592

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide (CID 86822495) is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide is Cc1nc(CNC(=O)c2c(Cl)c3ccccc3n2C)oc1C.
What is the InChIKey of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The InChIKey is FHFAKGCISOQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-10(2)22-13(19-9)8-18-16(21)15-14(17)11-6-4-5-7-12(11)20(15)3/h4-7H,8H2,1-3H3,(H,18,21).
What are the key properties of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide?
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 86822495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).