N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide

C18H21N5O3 — CID 38139920

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)/C=C/c3cccnc3)CC2)no1
InChIInChI=1S/C18H21N5O3/c1-14-11-16(21-26-14)20-17(24)13-22-7-9-23(10-8-22)18(25)5-4-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,24)/b5-4+
InChIKeyMSOTXORBRNZAQH-SNAWJCMRSA-N
MW355.40 g/mol
LogP1.17
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 38139920) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID38139920
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)/C=C/c3cccnc3)CC2)no1
InChIInChI=1S/C18H21N5O3/c1-14-11-16(21-26-14)20-17(24)13-22-7-9-23(10-8-22)18(25)5-4-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,24)/b5-4+
InChIKeyMSOTXORBRNZAQH-SNAWJCMRSA-N
XLogP1.17
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33266958
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
(E)-1-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 75407811
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119043152
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33267493

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide (CID 38139920) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)/C=C/c3cccnc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is MSOTXORBRNZAQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-14-11-16(21-26-14)20-17(24)13-22-7-9-23(10-8-22)18(25)5-4-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,24)/b5-4+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 38139920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).