(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide

C26H27ClN6O2 — CID 134152881

IUPAC(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
SMILESCc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C
InChIInChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1
InChIKeyPGAYHJCRHZFARK-OGWOLHLISA-N
MW491.00 g/mol
LogP5.75
Rot. Bonds5

About (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide

(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide (PubChem CID 134152881) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
PubChem CID134152881
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
SMILESCc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C
InChIInChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1
InChIKeyPGAYHJCRHZFARK-OGWOLHLISA-N
XLogP5.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.00
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide with MolForge

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Related Compounds

(S)-2-amino-N-(3-(5-(5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574266
US20240190892, Example 25
CID 165133763
(2S)-2-amino-N-[[3-[5-(5-quinolin-4-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
CID 58832585
N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 172201667
2-amino-N-[[3-[5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
CID 75074972
N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 50827713
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 92562788
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide
CID 70180445
1-tert-butyl-4-(3-chlorobenzoyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 176389456
2-(4-Chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
CID 19540548
2-[(4-Chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
CID 19550499
2-[1-(4-Chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
CID 19552775

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The IUPAC name of (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide (CID 134152881) is (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide.
What is the SMILES notation for (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The canonical SMILES for (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide is Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C.
What is the InChIKey of (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The InChIKey is PGAYHJCRHZFARK-OGWOLHLISA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1.
What are the key properties of (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide has a molecular weight of 491.00 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide is sourced from PubChem (CID 134152881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).