3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C16H22N4O2 — CID 47025801

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C16H22N4O2/c1-10-12(11(2)22-19-10)7-8-16(21)18-14-5-4-6-15-13(14)9-17-20(15)3/h9,14H,4-8H2,1-3H3,(H,18,21)
InChIKeyFKYKJVLRMLAYGW-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.15
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 47025801) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID47025801
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C16H22N4O2/c1-10-12(11(2)22-19-10)7-8-16(21)18-14-5-4-6-15-13(14)9-17-20(15)3/h9,14H,4-8H2,1-3H3,(H,18,21)
InChIKeyFKYKJVLRMLAYGW-UHFFFAOYSA-N
XLogP2.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide with MolForge

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110236796
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 95384675
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 25461275
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 47025801) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is FKYKJVLRMLAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-12(11(2)22-19-10)7-8-16(21)18-14-5-4-6-15-13(14)9-17-20(15)3/h9,14H,4-8H2,1-3H3,(H,18,21).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 47025801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).