(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide

C20H23N3O4 — CID 24790897

IUPAC(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C20H23N3O4/c21-19(24)18-6-3-9-23(18)20(25)17-11-16(27-22-17)12-26-15-8-7-13-4-1-2-5-14(13)10-15/h7-8,10-11,18H,1-6,9,12H2,(H2,21,24)/t18-/m0/s1
InChIKeyYBQFDTRSLSDXBR-SFHVURJKSA-N
MW369.42 g/mol
LogP2.22
Rot. Bonds5

About (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 24790897) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID24790897
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C20H23N3O4/c21-19(24)18-6-3-9-23(18)20(25)17-11-16(27-22-17)12-26-15-8-7-13-4-1-2-5-14(13)10-15/h7-8,10-11,18H,1-6,9,12H2,(H2,21,24)/t18-/m0/s1
InChIKeyYBQFDTRSLSDXBR-SFHVURJKSA-N
XLogP2.22
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide (CID 24790897) is (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1.
What is the InChIKey of (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is YBQFDTRSLSDXBR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-19(24)18-6-3-9-23(18)20(25)17-11-16(27-22-17)12-26-15-8-7-13-4-1-2-5-14(13)10-15/h7-8,10-11,18H,1-6,9,12H2,(H2,21,24)/t18-/m0/s1.
What are the key properties of (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24790897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).