N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide

C9H13N3O2 — CID 115668958

IUPACN-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cnc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(7-4-10-6-12-7)11-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H,10,12)(H,11,13)
InChIKeyPOGFQXUUIKBICG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.05
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 115668958) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID115668958
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cnc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(7-4-10-6-12-7)11-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H,10,12)(H,11,13)
InChIKeyPOGFQXUUIKBICG-UHFFFAOYSA-N
XLogP0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-formyl-N-[(1-hydroxycyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 111825043
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
CID 111825049
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
N-[[(3R,4R)-3,4-dihydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methyl]-1H-imidazole-5-carboxamide
CID 110139520
N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
CID 104630663
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[(1-hydroxycycloheptyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 111433112

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide (CID 115668958) is N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCC1(O)CCC1)c1cnc[nH]1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is POGFQXUUIKBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8(7-4-10-6-12-7)11-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H,10,12)(H,11,13).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 115668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).