N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

C19H20ClN3O3 — CID 110204755

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCCc3c2[nH]c2ccc(Cl)cc32)on1
InChIInChI=1S/C19H20ClN3O3/c1-25-18-10-12(26-23-18)6-8-17(24)21-16-4-2-3-13-14-9-11(20)5-7-15(14)22-19(13)16/h5,7,9-10,16,22H,2-4,6,8H2,1H3,(H,21,24)
InChIKeyYWYZYZHXXAPKGP-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.94
Rot. Bonds5

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 110204755) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID110204755
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCCc3c2[nH]c2ccc(Cl)cc32)on1
InChIInChI=1S/C19H20ClN3O3/c1-25-18-10-12(26-23-18)6-8-17(24)21-16-4-2-3-13-14-9-11(20)5-7-15(14)22-19(13)16/h5,7,9-10,16,22H,2-4,6,8H2,1H3,(H,21,24)
InChIKeyYWYZYZHXXAPKGP-UHFFFAOYSA-N
XLogP3.94
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
CID 97425045
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-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
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-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
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
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 110204755) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)NC2CCCc3c2[nH]c2ccc(Cl)cc32)on1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is YWYZYZHXXAPKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-25-18-10-12(26-23-18)6-8-17(24)21-16-4-2-3-13-14-9-11(20)5-7-15(14)22-19(13)16/h5,7,9-10,16,22H,2-4,6,8H2,1H3,(H,21,24).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 373.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 110204755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).