(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C18H26N4O2 — CID 175866737

IUPAC(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)[C@H]4C)[C@@H]3C2)c1
InChIInChI=1S/C18H26N4O2/c1-10(2)22-8-14(19-9-22)17(23)21-6-12-13(7-21)15(12)16-11(3)18(4,5)24-20-16/h8-13,15H,6-7H2,1-5H3/t11-,12-,13+,15?/m0/s1
InChIKeyJTYCDWRZLMNPJG-KIFYNCCSSA-N
MW330.43 g/mol
LogP2.58
Rot. Bonds3

About (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 175866737) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID175866737
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)[C@H]4C)[C@@H]3C2)c1
InChIInChI=1S/C18H26N4O2/c1-10(2)22-8-14(19-9-22)17(23)21-6-12-13(7-21)15(12)16-11(3)18(4,5)24-20-16/h8-13,15H,6-7H2,1-5H3/t11-,12-,13+,15?/m0/s1
InChIKeyJTYCDWRZLMNPJG-KIFYNCCSSA-N
XLogP2.58
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 175866737) is (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is CC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)[C@H]4C)[C@@H]3C2)c1.
What is the InChIKey of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is JTYCDWRZLMNPJG-KIFYNCCSSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-10(2)22-8-14(19-9-22)17(23)21-6-12-13(7-21)15(12)16-11(3)18(4,5)24-20-16/h8-13,15H,6-7H2,1-5H3/t11-,12-,13+,15?/m0/s1.
What are the key properties of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 175866737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).