N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide

C27H29N5O3 — CID 137001062

IUPACN-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
SMILESCCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc4[nH]cc(-c5nnc(C)o5)c4c3)cc2)C1
InChIInChI=1S/C27H29N5O3/c1-4-25(33)29-20-10-11-21(14-20)32(3)27(34)18-7-5-17(6-8-18)19-9-12-24-22(13-19)23(15-28-24)26-31-30-16(2)35-26/h5-9,12-13,15,20-21,28H,4,10-11,14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1
InChIKeyMFZOVYZCWLJGNP-LEWJYISDSA-N
MW471.56 g/mol
LogP4.71
Rot. Bonds6

About N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide

N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide (PubChem CID 137001062) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
PubChem CID137001062
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
SMILESCCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc4[nH]cc(-c5nnc(C)o5)c4c3)cc2)C1
InChIInChI=1S/C27H29N5O3/c1-4-25(33)29-20-10-11-21(14-20)32(3)27(34)18-7-5-17(6-8-18)19-9-12-24-22(13-19)23(15-28-24)26-31-30-16(2)35-26/h5-9,12-13,15,20-21,28H,4,10-11,14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1
InChIKeyMFZOVYZCWLJGNP-LEWJYISDSA-N
XLogP4.71
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide?
The IUPAC name of N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide (CID 137001062) is N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide.
What is the SMILES notation for N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide?
The canonical SMILES for N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide is CCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc4[nH]cc(-c5nnc(C)o5)c4c3)cc2)C1.
What is the InChIKey of N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide?
The InChIKey is MFZOVYZCWLJGNP-LEWJYISDSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-4-25(33)29-20-10-11-21(14-20)32(3)27(34)18-7-5-17(6-8-18)19-9-12-24-22(13-19)23(15-28-24)26-31-30-16(2)35-26/h5-9,12-13,15,20-21,28H,4,10-11,14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1.
What are the key properties of N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide?
N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide has a molecular weight of 471.56 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide is sourced from PubChem (CID 137001062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).