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

C17H22N4O3S — CID 55916540

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)on1
InChIInChI=1S/C17H22N4O3S/c1-11-10-15(24-19-11)18-16(22)13(3)20-6-8-21(9-7-20)17(23)14-5-4-12(2)25-14/h4-5,10,13H,6-9H2,1-3H3,(H,18,22)
InChIKeyRHNZFJMJONAFCU-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.14
Rot. Bonds4

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 55916540) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID55916540
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)on1
InChIInChI=1S/C17H22N4O3S/c1-11-10-15(24-19-11)18-16(22)13(3)20-6-8-21(9-7-20)17(23)14-5-4-12(2)25-14/h4-5,10,13H,6-9H2,1-3H3,(H,18,22)
InChIKeyRHNZFJMJONAFCU-UHFFFAOYSA-N
XLogP2.14
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46406423
(2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720356
(2R)-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95148704
(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
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55916283
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
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 110019829

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide (CID 55916540) is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide is Cc1cc(NC(=O)C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is RHNZFJMJONAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-10-15(24-19-11)18-16(22)13(3)20-6-8-21(9-7-20)17(23)14-5-4-12(2)25-14/h4-5,10,13H,6-9H2,1-3H3,(H,18,22).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 362.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55916540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).