N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide

C10H15N3O3 — CID 104630663

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-9(15)8-5-11-7-12-8/h5,7,14H,1-4,6H2,(H,11,12)(H,13,15)
InChIKeyVRDOBAAUORVKQC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.32
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 104630663) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
PubChem CID104630663
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-9(15)8-5-11-7-12-8/h5,7,14H,1-4,6H2,(H,11,12)(H,13,15)
InChIKeyVRDOBAAUORVKQC-UHFFFAOYSA-N
XLogP-0.32
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide (CID 104630663) is N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide is O=C(NC1(CO)CCOCC1)c1cnc[nH]1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is VRDOBAAUORVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-9(15)8-5-11-7-12-8/h5,7,14H,1-4,6H2,(H,11,12)(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 104630663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).