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

C17H22N4O3 — CID 9276911

IUPAC(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-3-5-15(22)6-4-14/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/t13-/m1/s1
InChIKeyDKGGKROBBOPLKM-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.84
Rot. Bonds4

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

(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 9276911) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID9276911
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-3-5-15(22)6-4-14/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/t13-/m1/s1
InChIKeyDKGGKROBBOPLKM-CYBMUJFWSA-N
XLogP1.84
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 94162134
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
(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
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
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)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 9276911) is (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)no1.
What is the InChIKey of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is DKGGKROBBOPLKM-CYBMUJFWSA-N. 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)14-3-5-15(22)6-4-14/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 9276911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).