3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

C22H26N4O3 — CID 51494508

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C22H26N4O3/c1-14-18(15(2)29-25-14)11-12-22(27)24-20-5-4-6-21-19(20)13-23-26(21)16-7-9-17(28-3)10-8-16/h7-10,13,20H,4-6,11-12H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyVNCFQISAZBWUMM-FQEVSTJZSA-N
MW394.48 g/mol
LogP3.61
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (PubChem CID 51494508) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
PubChem CID51494508
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C22H26N4O3/c1-14-18(15(2)29-25-14)11-12-22(27)24-20-5-4-6-21-19(20)13-23-26(21)16-7-9-17(28-3)10-8-16/h7-10,13,20H,4-6,11-12H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyVNCFQISAZBWUMM-FQEVSTJZSA-N
XLogP3.61
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (CID 51494508) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2c(C)noc2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The InChIKey is VNCFQISAZBWUMM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-18(15(2)29-25-14)11-12-22(27)24-20-5-4-6-21-19(20)13-23-26(21)16-7-9-17(28-3)10-8-16/h7-10,13,20H,4-6,11-12H2,1-3H3,(H,24,27)/t20-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is sourced from PubChem (CID 51494508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).