N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide

C12H19N3O2 — CID 56749755

IUPACN-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)c1ncc[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-7-15(9-10-4-3-8-17-10)12(16)11-13-5-6-14-11/h5-6,10H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyPPXIGHCOLMTTSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide

N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide (PubChem CID 56749755) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide
PubChem CID56749755
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)c1ncc[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-7-15(9-10-4-3-8-17-10)12(16)11-13-5-6-14-11/h5-6,10H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyPPXIGHCOLMTTSI-UHFFFAOYSA-N
XLogP1.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide (CID 56749755) is N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide is CCCN(CC1CCCO1)C(=O)c1ncc[nH]1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide?
The InChIKey is PPXIGHCOLMTTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-7-15(9-10-4-3-8-17-10)12(16)11-13-5-6-14-11/h5-6,10H,2-4,7-9H2,1H3,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-propyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56749755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).