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

C20H22FN3O2 — CID 97425971

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C20H22FN3O2/c1-11-14(12(2)26-24-11)7-9-19(25)22-18-5-3-4-15-16-10-13(21)6-8-17(16)23-20(15)18/h6,8,10,18,23H,3-5,7,9H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyJVHJGMOEQORZNW-SFHVURJKSA-N
MW355.41 g/mol
LogP4.04
Rot. Bonds4

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide (PubChem CID 97425971) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
PubChem CID97425971
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C20H22FN3O2/c1-11-14(12(2)26-24-11)7-9-19(25)22-18-5-3-4-15-16-10-13(21)6-8-17(16)23-20(15)18/h6,8,10,18,23H,3-5,7,9H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyJVHJGMOEQORZNW-SFHVURJKSA-N
XLogP4.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.04
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

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-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110204755
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
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-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
CID 71828780
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47025801
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 110205500
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 124879396
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The IUPAC name of 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) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The InChIKey is JVHJGMOEQORZNW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-11-14(12(2)26-24-11)7-9-19(25)22-18-5-3-4-15-16-10-13(21)6-8-17(16)23-20(15)18/h6,8,10,18,23H,3-5,7,9H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide has a molecular weight of 355.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is sourced from PubChem (CID 97425971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).