N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide

C17H21N5O4 — CID 138730794

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide
SMILESCC(C)C(Nc1ncc(-c2ccc[nH]2)o1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H21N5O4/c1-9(2)13(15(24)21-11-5-7-19-16(25)14(11)23)22-17-20-8-12(26-17)10-4-3-6-18-10/h3-4,6,8-9,11,13,18H,5,7H2,1-2H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyHLNSLALYXYTHOG-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.68
Rot. Bonds6

About N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide (PubChem CID 138730794) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide
PubChem CID138730794
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide
SMILESCC(C)C(Nc1ncc(-c2ccc[nH]2)o1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H21N5O4/c1-9(2)13(15(24)21-11-5-7-19-16(25)14(11)23)22-17-20-8-12(26-17)10-4-3-6-18-10/h3-4,6,8-9,11,13,18H,5,7H2,1-2H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyHLNSLALYXYTHOG-UHFFFAOYSA-N
XLogP0.68
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide (CID 138730794) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide is CC(C)C(Nc1ncc(-c2ccc[nH]2)o1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide?
The InChIKey is HLNSLALYXYTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-9(2)13(15(24)21-11-5-7-19-16(25)14(11)23)22-17-20-8-12(26-17)10-4-3-6-18-10/h3-4,6,8-9,11,13,18H,5,7H2,1-2H3,(H,19,25)(H,20,22)(H,21,24).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide has a molecular weight of 359.39 g/mol, XLogP of 0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[5-(1H-pyrrol-2-yl)-1,3-oxazol-2-yl]amino]butanamide is sourced from PubChem (CID 138730794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).