1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

C19H23N4O4+ — CID 58023522

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESCc1noc(C)c1-c1[nH]c(C(=O)NC2(CO)CCOCC2)[n+]2ccccc12
InChIInChI=1S/C19H22N4O4/c1-12-15(13(2)27-22-12)16-14-5-3-4-8-23(14)17(20-16)18(25)21-19(11-24)6-9-26-10-7-19/h3-5,8,24H,6-7,9-11H2,1-2H3,(H,21,25)/p+1
InChIKeyQCXCKRXBUDLWQF-UHFFFAOYSA-O
MW371.42 g/mol
LogP1.30
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023522) has the molecular formula C19H23N4O4+ and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023522
Molecular FormulaC19H23N4O4+
Molecular Weight371.42 g/mol
Exact Mass371.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESCc1noc(C)c1-c1[nH]c(C(=O)NC2(CO)CCOCC2)[n+]2ccccc12
InChIInChI=1S/C19H22N4O4/c1-12-15(13(2)27-22-12)16-14-5-3-4-8-23(14)17(20-16)18(25)21-19(11-24)6-9-26-10-7-19/h3-5,8,24H,6-7,9-11H2,1-2H3,(H,21,25)/p+1
InChIKeyQCXCKRXBUDLWQF-UHFFFAOYSA-O
XLogP1.30
TPSA104.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58024075
N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-morpholin-4-yl-3-pyridinyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 162336123
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91047712
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023522) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is Cc1noc(C)c1-c1[nH]c(C(=O)NC2(CO)CCOCC2)[n+]2ccccc12.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is QCXCKRXBUDLWQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O4/c1-12-15(13(2)27-22-12)16-14-5-3-4-8-23(14)17(20-16)18(25)21-19(11-24)6-9-26-10-7-19/h3-5,8,24H,6-7,9-11H2,1-2H3,(H,21,25)/p+1.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).