[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C21H30N4O2 — CID 175860919

IUPAC[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESC[C@@H](C1CCCC1)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)C4)[C@@H]3C2)c1
InChIInChI=1S/C21H30N4O2/c1-13(14-6-4-5-7-14)25-11-18(22-12-25)20(26)24-9-15-16(10-24)19(15)17-8-21(2,3)27-23-17/h11-16,19H,4-10H2,1-3H3/t13-,15-,16+,19?/m0/s1
InChIKeyIGZBHLUOHPCZAA-NQXVPUPISA-N
MW370.50 g/mol
LogP3.51
Rot. Bonds4

About [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 175860919) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID175860919
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESC[C@@H](C1CCCC1)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)C4)[C@@H]3C2)c1
InChIInChI=1S/C21H30N4O2/c1-13(14-6-4-5-7-14)25-11-18(22-12-25)20(26)24-9-15-16(10-24)19(15)17-8-21(2,3)27-23-17/h11-16,19H,4-10H2,1-3H3/t13-,15-,16+,19?/m0/s1
InChIKeyIGZBHLUOHPCZAA-NQXVPUPISA-N
XLogP3.51
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Related Compounds

[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone
CID 167524467
[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone
CID 166520663
(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
ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
CID 114203724
(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175860922
(1-cyclopropylimidazol-4-yl)-[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166520603
(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175560388
[1-[(2S)-butan-2-yl]imidazol-4-yl]-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 166838345
[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124850203
[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124725248
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 175860919) is [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is C[C@@H](C1CCCC1)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)C4)[C@@H]3C2)c1.
What is the InChIKey of [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is IGZBHLUOHPCZAA-NQXVPUPISA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(14-6-4-5-7-14)25-11-18(22-12-25)20(26)24-9-15-16(10-24)19(15)17-8-21(2,3)27-23-17/h11-16,19H,4-10H2,1-3H3/t13-,15-,16+,19?/m0/s1.
What are the key properties of [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 175860919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).