N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H25N5O2 — CID 124851001

IUPACN-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C20H25N5O2/c1-13(2)19-22-18(27-24-19)11-10-17(26)21-20-14(3)12-25(23-20)15(4)16-8-6-5-7-9-16/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,23,26)/t15-/m0/s1
InChIKeyROLAKMICHBYGFS-HNNXBMFYSA-N
MW367.45 g/mol
LogP3.88
Rot. Bonds7

About N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 124851001) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID124851001
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCc1nc(C(C)C)no1
InChIInChI=1S/C20H25N5O2/c1-13(2)19-22-18(27-24-19)11-10-17(26)21-20-14(3)12-25(23-20)15(4)16-8-6-5-7-9-16/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,23,26)/t15-/m0/s1
InChIKeyROLAKMICHBYGFS-HNNXBMFYSA-N
XLogP3.88
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 124851001) is N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCc1nc(C(C)C)no1.
What is the InChIKey of N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ROLAKMICHBYGFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)19-22-18(27-24-19)11-10-17(26)21-20-14(3)12-25(23-20)15(4)16-8-6-5-7-9-16/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,23,26)/t15-/m0/s1.
What are the key properties of N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 124851001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).