3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide

C16H19N5O2 — CID 47030832

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H19N5O2/c1-16(2,3)15-19-14(23-21-15)7-6-13(22)18-11-5-4-10-9-17-20-12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyFIHWEYLCPHKXOO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.81
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide (PubChem CID 47030832) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
PubChem CID47030832
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H19N5O2/c1-16(2,3)15-19-14(23-21-15)7-6-13(22)18-11-5-4-10-9-17-20-12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyFIHWEYLCPHKXOO-UHFFFAOYSA-N
XLogP2.81
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046869
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide (CID 47030832) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide is CC(C)(C)c1noc(CCC(=O)Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide?
The InChIKey is FIHWEYLCPHKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-16(2,3)15-19-14(23-21-15)7-6-13(22)18-11-5-4-10-9-17-20-12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide is sourced from PubChem (CID 47030832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).