N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H20ClN3O2 — CID 71828982

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C19H20ClN3O2/c1-10-14(11(2)25-23-10)9-17(24)21-16-8-4-6-13-12-5-3-7-15(20)18(12)22-19(13)16/h3,5,7,16,22H,4,6,8-9H2,1-2H3,(H,21,24)
InChIKeyVKJXITFBZWHDEG-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.16
Rot. Bonds3

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 71828982) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID71828982
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C19H20ClN3O2/c1-10-14(11(2)25-23-10)9-17(24)21-16-8-4-6-13-12-5-3-7-15(20)18(12)22-19(13)16/h3,5,7,16,22H,4,6,8-9H2,1-2H3,(H,21,24)
InChIKeyVKJXITFBZWHDEG-UHFFFAOYSA-N
XLogP4.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.16
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

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97425995
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 99755034
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 126418019
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97425971
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 90489330
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
CID 97425903
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126418717

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 71828982) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is VKJXITFBZWHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-10-14(11(2)25-23-10)9-17(24)21-16-8-4-6-13-12-5-3-7-15(20)18(12)22-19(13)16/h3,5,7,16,22H,4,6,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 357.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 71828982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).