1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

C20H20N4O4 — CID 136529072

IUPAC1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2C(=O)c2ccc3ccccc3c2O)no1
InChIInChI=1S/C20H20N4O4/c1-12-22-17(23-28-12)11-21-19(26)16-7-4-10-24(16)20(27)15-9-8-13-5-2-3-6-14(13)18(15)25/h2-3,5-6,8-9,16,25H,4,7,10-11H2,1H3,(H,21,26)
InChIKeyJRZJYRYYPSQKTI-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.16
Rot. Bonds4

About 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 136529072) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID136529072
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2C(=O)c2ccc3ccccc3c2O)no1
InChIInChI=1S/C20H20N4O4/c1-12-22-17(23-28-12)11-21-19(26)16-7-4-10-24(16)20(27)15-9-8-13-5-2-3-6-14(13)18(15)25/h2-3,5-6,8-9,16,25H,4,7,10-11H2,1H3,(H,21,26)
InChIKeyJRZJYRYYPSQKTI-UHFFFAOYSA-N
XLogP2.16
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 87749033
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56561278
(2S)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 97024105
1-(1-hydroxynaphthalene-2-carbonyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 56581797
1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 56555754
(1-hydroxynaphthalen-2-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 111696077
(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 52515302
(2R)-N-benzyl-1-[(2R)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049715
(2R)-N-[(4-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 92893367
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334
1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 95342823
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 136529072) is 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is Cc1nc(CNC(=O)C2CCCN2C(=O)c2ccc3ccccc3c2O)no1.
What is the InChIKey of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JRZJYRYYPSQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-22-17(23-28-12)11-21-19(26)16-7-4-10-24(16)20(27)15-9-8-13-5-2-3-6-14(13)18(15)25/h2-3,5-6,8-9,16,25H,4,7,10-11H2,1H3,(H,21,26).
What are the key properties of 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136529072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).