2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide

C17H24N4O3 — CID 166380284

IUPAC2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide
SMILESCCC(C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C
InChIInChI=1S/C17H24N4O3/c1-3-13(15(18)22)20-7-12-6-11(20)8-21(12)17(23)14-9(2)19-16(24-14)10-4-5-10/h10-13H,3-8H2,1-2H3,(H2,18,22)/t11-,12-,13?/m0/s1
InChIKeyGAFZGLAFWDJFIM-VYAYZGMFSA-N
MW332.40 g/mol
LogP1.02
Rot. Bonds5

About 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide

2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide (PubChem CID 166380284) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide.

Molecular Properties

Compound Name2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide
PubChem CID166380284
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide
SMILESCCC(C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C
InChIInChI=1S/C17H24N4O3/c1-3-13(15(18)22)20-7-12-6-11(20)8-21(12)17(23)14-9(2)19-16(24-14)10-4-5-10/h10-13H,3-8H2,1-2H3,(H2,18,22)/t11-,12-,13?/m0/s1
InChIKeyGAFZGLAFWDJFIM-VYAYZGMFSA-N
XLogP1.02
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide?
The IUPAC name of 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide (CID 166380284) is 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide.
What is the SMILES notation for 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide?
The canonical SMILES for 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide is CCC(C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C.
What is the InChIKey of 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide?
The InChIKey is GAFZGLAFWDJFIM-VYAYZGMFSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-13(15(18)22)20-7-12-6-11(20)8-21(12)17(23)14-9(2)19-16(24-14)10-4-5-10/h10-13H,3-8H2,1-2H3,(H2,18,22)/t11-,12-,13?/m0/s1.
What are the key properties of 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide?
2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide has a molecular weight of 332.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide is sourced from PubChem (CID 166380284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).