N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

C20H24ClN5O3 — CID 154893396

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCOc1cccc(-c2cc(CNC(=O)CCc3cc4n(n3)CCNC4)no2)c1.Cl
InChIInChI=1S/C20H23N5O3.ClH/c1-27-18-4-2-3-14(9-18)19-11-16(24-28-19)12-22-20(26)6-5-15-10-17-13-21-7-8-25(17)23-15;/h2-4,9-11,21H,5-8,12-13H2,1H3,(H,22,26);1H
InChIKeyMUXNCBALSPLKAZ-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.32
Rot. Bonds7

About N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (PubChem CID 154893396) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
PubChem CID154893396
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCOc1cccc(-c2cc(CNC(=O)CCc3cc4n(n3)CCNC4)no2)c1.Cl
InChIInChI=1S/C20H23N5O3.ClH/c1-27-18-4-2-3-14(9-18)19-11-16(24-28-19)12-22-20(26)6-5-15-10-17-13-21-7-8-25(17)23-15;/h2-4,9-11,21H,5-8,12-13H2,1H3,(H,22,26);1H
InChIKeyMUXNCBALSPLKAZ-UHFFFAOYSA-N
XLogP2.32
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 72698971
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154895023
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-[3-(1,2,4-triazol-4-yl)propyl]propanamide;hydrochloride
CID 154894408
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893788
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711394
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154894158
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide;hydrochloride
CID 154894179
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (CID 154893396) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is COc1cccc(-c2cc(CNC(=O)CCc3cc4n(n3)CCNC4)no2)c1.Cl.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The InChIKey is MUXNCBALSPLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.ClH/c1-27-18-4-2-3-14(9-18)19-11-16(24-28-19)12-22-20(26)6-5-15-10-17-13-21-7-8-25(17)23-15;/h2-4,9-11,21H,5-8,12-13H2,1H3,(H,22,26);1H.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride has a molecular weight of 417.90 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 154893396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).