2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C19H20FN3O2 — CID 97425995

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C19H20FN3O2/c1-10-14(11(2)25-23-10)9-18(24)21-17-5-3-4-13-15-8-12(20)6-7-16(15)22-19(13)17/h6-8,17,22H,3-5,9H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyUURDJWYLNMHHDL-KRWDZBQOSA-N
MW341.39 g/mol
LogP3.65
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 97425995) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID97425995
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C19H20FN3O2/c1-10-14(11(2)25-23-10)9-18(24)21-17-5-3-4-13-15-8-12(20)6-7-16(15)22-19(13)17/h6-8,17,22H,3-5,9H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyUURDJWYLNMHHDL-KRWDZBQOSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.65
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

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-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
CID 71828780
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 99755071
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 97497045
5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124873465
N-[(1R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 97497044
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110204755

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 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) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is Cc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is UURDJWYLNMHHDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-10-14(11(2)25-23-10)9-18(24)21-17-5-3-4-13-15-8-12(20)6-7-16(15)22-19(13)17/h6-8,17,22H,3-5,9H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 97425995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).