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

C15H17N5O2 — CID 56880963

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
SMILESCCc1noc(C(C)NC(=O)c2nn(C)c3ccccc23)n1
InChIInChI=1S/C15H17N5O2/c1-4-12-17-15(22-19-12)9(2)16-14(21)13-10-7-5-6-8-11(10)20(3)18-13/h5-9H,4H2,1-3H3,(H,16,21)
InChIKeyLMMZNHWBEMUGQC-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.01
Rot. Bonds4

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide (PubChem CID 56880963) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
PubChem CID56880963
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
SMILESCCc1noc(C(C)NC(=O)c2nn(C)c3ccccc23)n1
InChIInChI=1S/C15H17N5O2/c1-4-12-17-15(22-19-12)9(2)16-14(21)13-10-7-5-6-8-11(10)20(3)18-13/h5-9H,4H2,1-3H3,(H,16,21)
InChIKeyLMMZNHWBEMUGQC-UHFFFAOYSA-N
XLogP2.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
3-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 126453180
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide (CID 56880963) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide is CCc1noc(C(C)NC(=O)c2nn(C)c3ccccc23)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide?
The InChIKey is LMMZNHWBEMUGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-4-12-17-15(22-19-12)9(2)16-14(21)13-10-7-5-6-8-11(10)20(3)18-13/h5-9H,4H2,1-3H3,(H,16,21).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 56880963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).