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

C15H21N5O2S — CID 94162134

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCc1csc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-23-15(16-10)20-6-4-19(5-7-20)12(3)14(21)17-13-8-11(2)22-18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,21)/t12-/m0/s1
InChIKeySFCOIHMZUMJOOM-LBPRGKRZSA-N
MW335.43 g/mol
LogP1.90
Rot. Bonds4

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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 94162134) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID94162134
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCc1csc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-23-15(16-10)20-6-4-19(5-7-20)12(3)14(21)17-13-8-11(2)22-18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,21)/t12-/m0/s1
InChIKeySFCOIHMZUMJOOM-LBPRGKRZSA-N
XLogP1.90
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96522187
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625
N-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47542745
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide
CID 47543064
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949
(2S)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95295579

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 94162134) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide is Cc1csc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is SFCOIHMZUMJOOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-9-23-15(16-10)20-6-4-19(5-7-20)12(3)14(21)17-13-8-11(2)22-18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 94162134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).