(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C13H17N3O3 — CID 97314154

IUPAC(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1nc(CN2C(=O)[C@H]3CCCCN3C2=O)oc1C
InChIInChI=1S/C13H17N3O3/c1-8-9(2)19-11(14-8)7-16-12(17)10-5-3-4-6-15(10)13(16)18/h10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyNDLNFAIJQCWYFZ-SNVBAGLBSA-N
MW263.30 g/mol
LogP1.61
Rot. Bonds2

About (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 97314154) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID97314154
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1nc(CN2C(=O)[C@H]3CCCCN3C2=O)oc1C
InChIInChI=1S/C13H17N3O3/c1-8-9(2)19-11(14-8)7-16-12(17)10-5-3-4-6-15(10)13(16)18/h10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyNDLNFAIJQCWYFZ-SNVBAGLBSA-N
XLogP1.61
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione with MolForge

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Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 75422761
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71857463
(7aS)-2-[(3-methylquinoxalin-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 41104588
2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 126830668
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
(8aR)-2-(1H-pyrazol-5-ylmethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99781573
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
CID 106373296
(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97089492
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
CID 106377205
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 97314154) is (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1nc(CN2C(=O)[C@H]3CCCCN3C2=O)oc1C.
What is the InChIKey of (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is NDLNFAIJQCWYFZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-9(2)19-11(14-8)7-16-12(17)10-5-3-4-6-15(10)13(16)18/h10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 263.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 97314154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).