N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide

C10H15N3O3 — CID 106103205

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)n1ccnc1
InChIInChI=1S/C10H15N3O3/c1-8-10(15,2-5-16-8)6-12-9(14)13-4-3-11-7-13/h3-4,7-8,15H,2,5-6H2,1H3,(H,12,14)
InChIKeyPCABVIOSHFVVDM-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.02
Rot. Bonds2

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide (PubChem CID 106103205) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide
PubChem CID106103205
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)n1ccnc1
InChIInChI=1S/C10H15N3O3/c1-8-10(15,2-5-16-8)6-12-9(14)13-4-3-11-7-13/h3-4,7-8,15H,2,5-6H2,1H3,(H,12,14)
InChIKeyPCABVIOSHFVVDM-UHFFFAOYSA-N
XLogP-0.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide (CID 106103205) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide is CC1OCCC1(O)CNC(=O)n1ccnc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide?
The InChIKey is PCABVIOSHFVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8-10(15,2-5-16-8)6-12-9(14)13-4-3-11-7-13/h3-4,7-8,15H,2,5-6H2,1H3,(H,12,14).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 106103205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).