N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C14H20N4O3 — CID 50980935

IUPACN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(CC(C)C)no1
InChIInChI=1S/C14H20N4O3/c1-5-18(8-13-15-10(4)16-21-13)14(19)12-7-11(17-20-12)6-9(2)3/h7,9H,5-6,8H2,1-4H3
InChIKeyGRVDGLLPZLIKQT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 50980935) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID50980935
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(CC(C)C)no1
InChIInChI=1S/C14H20N4O3/c1-5-18(8-13-15-10(4)16-21-13)14(19)12-7-11(17-20-12)6-9(2)3/h7,9H,5-6,8H2,1-4H3
InChIKeyGRVDGLLPZLIKQT-UHFFFAOYSA-N
XLogP2.23
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 50980935) is N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CCN(Cc1nc(C)no1)C(=O)c1cc(CC(C)C)no1.
What is the InChIKey of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GRVDGLLPZLIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-18(8-13-15-10(4)16-21-13)14(19)12-7-11(17-20-12)6-9(2)3/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 50980935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).