(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide

C21H30N4O2 — CID 8994154

IUPAC(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C21H30N4O2/c1-15(2)18-5-7-19(8-6-18)22-21(26)17(4)25-11-9-24(10-12-25)14-20-13-16(3)27-23-20/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyWIKHNQPOWBYRLC-KRWDZBQOSA-N
MW370.50 g/mol
LogP3.25
Rot. Bonds6

About (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide

(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 8994154) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID8994154
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C21H30N4O2/c1-15(2)18-5-7-19(8-6-18)22-21(26)17(4)25-11-9-24(10-12-25)14-20-13-16(3)27-23-20/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyWIKHNQPOWBYRLC-KRWDZBQOSA-N
XLogP3.25
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30728174
N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432438
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8994370
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510
5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51122237
(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 39985726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 8994154) is (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide is Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)no1.
What is the InChIKey of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is WIKHNQPOWBYRLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15(2)18-5-7-19(8-6-18)22-21(26)17(4)25-11-9-24(10-12-25)14-20-13-16(3)27-23-20/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 370.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8994154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).