(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

C18H21N5O2 — CID 98345366

IUPAC(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1nnc(-c2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2)o1
InChIInChI=1S/C18H21N5O2/c1-13-20-21-17(25-13)14-4-6-15(7-5-14)19-18(24)23-11-8-16(12-23)22-9-2-3-10-22/h2-7,16H,8-12H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyIJJLPEPAPKTQLU-INIZCTEOSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds3

About (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 98345366) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID98345366
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1nnc(-c2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2)o1
InChIInChI=1S/C18H21N5O2/c1-13-20-21-17(25-13)14-4-6-15(7-5-14)19-18(24)23-11-8-16(12-23)22-9-2-3-10-22/h2-7,16H,8-12H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyIJJLPEPAPKTQLU-INIZCTEOSA-N
XLogP2.52
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97285122
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266
N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870359
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-oxa-9-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 155955545
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124648090
(3S)-N-[4-(2-methylphenyl)phenyl]-3-(4-methylpiperazin-1-yl)pyrrolidine-1-carboxamide
CID 125179316
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[3-(methylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 98349166
(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125157739
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 130666198
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 96569829

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 98345366) is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is Cc1nnc(-c2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2)o1.
What is the InChIKey of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is IJJLPEPAPKTQLU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-20-21-17(25-13)14-4-6-15(7-5-14)19-18(24)23-11-8-16(12-23)22-9-2-3-10-22/h2-7,16H,8-12H2,1H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98345366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).