2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C18H27N5O2 — CID 154741785

IUPAC2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)NC2CCCc3c2cnn3C(C)(C)C)on1
InChIInChI=1S/C18H27N5O2/c1-11-9-16(25-22-11)21-17(24)12(2)20-14-7-6-8-15-13(14)10-19-23(15)18(3,4)5/h9-10,12,14,20H,6-8H2,1-5H3,(H,21,24)
InChIKeyFPYUEAZRTIAODN-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.93
Rot. Bonds4

About 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 154741785) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID154741785
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)NC2CCCc3c2cnn3C(C)(C)C)on1
InChIInChI=1S/C18H27N5O2/c1-11-9-16(25-22-11)21-17(24)12(2)20-14-7-6-8-15-13(14)10-19-23(15)18(3,4)5/h9-10,12,14,20H,6-8H2,1-5H3,(H,21,24)
InChIKeyFPYUEAZRTIAODN-UHFFFAOYSA-N
XLogP2.93
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 52531470
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95758088
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960
(E)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 94801450
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
CID 51124341
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 95277885

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 154741785) is 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)NC2CCCc3c2cnn3C(C)(C)C)on1.
What is the InChIKey of 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is FPYUEAZRTIAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-11-9-16(25-22-11)21-17(24)12(2)20-14-7-6-8-15-13(14)10-19-23(15)18(3,4)5/h9-10,12,14,20H,6-8H2,1-5H3,(H,21,24).
What are the key properties of 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 345.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 154741785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).