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

C17H23N4O3+ — CID 9432818

IUPAC(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3O)CC2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-5-3-4-6-15(14)22/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/p+1/t13-/m0/s1
InChIKeyJWCTYNCUNRHIQN-ZDUSSCGKSA-O
MW331.40 g/mol
LogP0.42
Rot. Bonds4

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

(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 9432818) has the molecular formula C17H23N4O3+ and a molecular weight of 331.40 g/mol. Its IUPAC name is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID9432818
Molecular FormulaC17H23N4O3+
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3O)CC2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-5-3-4-6-15(14)22/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/p+1/t13-/m0/s1
InChIKeyJWCTYNCUNRHIQN-ZDUSSCGKSA-O
XLogP0.42
TPSA83.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 7940777
(2S)-N-(2,4-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432656
(2S)-N-(2,5-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432663
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 8528578
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide
CID 9459783
(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 2575256
(2R)-2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432295
(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 9432557
(2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 2508308
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanamide
CID 9152457
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 9432818) is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3O)CC2)no1.
What is the InChIKey of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JWCTYNCUNRHIQN-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-5-3-4-6-15(14)22/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/p+1/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 331.40 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 9432818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).