N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C27H25FN4O2 — CID 72697504

IUPACN-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCCF)n2)cc1
InChIInChI=1S/C27H25FN4O2/c1-18-7-9-19(10-8-18)27-30-26(34-31-27)14-13-25(33)29-20-11-12-24-22(17-20)21-5-2-3-6-23(21)32(24)16-4-15-28/h2-3,5-12,17H,4,13-16H2,1H3,(H,29,33)
InChIKeyRVVCHQIATDOBHV-UHFFFAOYSA-N
MW456.52 g/mol
LogP6.08
Rot. Bonds8

About N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 72697504) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID72697504
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCCF)n2)cc1
InChIInChI=1S/C27H25FN4O2/c1-18-7-9-19(10-8-18)27-30-26(34-31-27)14-13-25(33)29-20-11-12-24-22(17-20)21-5-2-3-6-23(21)32(24)16-4-15-28/h2-3,5-12,17H,4,13-16H2,1H3,(H,29,33)
InChIKeyRVVCHQIATDOBHV-UHFFFAOYSA-N
XLogP6.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25033938
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CID 25033939
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CID 25034138
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CID 14810794
CID 14810794
CID 22431127
CID 22431127
CID 25033872
CID 25033872
CID 25033873
CID 25033873
CID 25033874
CID 25033874
CID 25033875
CID 25033875
CID 25034136
CID 25034136
CID 25034137
CID 25034137

Frequently Asked Questions

What is the IUPAC name of N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 72697504) is N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCCF)n2)cc1.
What is the InChIKey of N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is RVVCHQIATDOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-18-7-9-19(10-8-18)27-30-26(34-31-27)14-13-25(33)29-20-11-12-24-22(17-20)21-5-2-3-6-23(21)32(24)16-4-15-28/h2-3,5-12,17H,4,13-16H2,1H3,(H,29,33).
What are the key properties of N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 456.52 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-fluoropropyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 72697504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).