N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide

C12H17N5O2 — CID 91772591

IUPACN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCN(Cc1nc(C(C)C)no1)C(=O)c1cnc[nH]1
InChIInChI=1S/C12H17N5O2/c1-4-17(12(18)9-5-13-7-14-9)6-10-15-11(8(2)3)16-19-10/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyMZWFFRRKPCANCB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide

N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 91772591) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID91772591
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCN(Cc1nc(C(C)C)no1)C(=O)c1cnc[nH]1
InChIInChI=1S/C12H17N5O2/c1-4-17(12(18)9-5-13-7-14-9)6-10-15-11(8(2)3)16-19-10/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyMZWFFRRKPCANCB-UHFFFAOYSA-N
XLogP1.58
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide (CID 91772591) is N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide is CCN(Cc1nc(C(C)C)no1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is MZWFFRRKPCANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-17(12(18)9-5-13-7-14-9)6-10-15-11(8(2)3)16-19-10/h5,7-8H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide?
N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91772591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).