2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide

C23H25N5O4 — CID 30870277

IUPAC2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1
InChIInChI=1S/C23H25N5O4/c1-17-4-2-5-18(14-17)30-13-7-25-21(29)16-27-8-10-28(11-9-27)23-19(15-24)26-22(32-23)20-6-3-12-31-20/h2-6,12,14H,7-11,13,16H2,1H3,(H,25,29)
InChIKeyCRHCZUCIWKYEPD-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.43
Rot. Bonds8

About 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 30870277) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID30870277
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1
InChIInChI=1S/C23H25N5O4/c1-17-4-2-5-18(14-17)30-13-7-25-21(29)16-27-8-10-28(11-9-27)23-19(15-24)26-22(32-23)20-6-3-12-31-20/h2-6,12,14H,7-11,13,16H2,1H3,(H,25,29)
InChIKeyCRHCZUCIWKYEPD-UHFFFAOYSA-N
XLogP2.43
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55591536
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30870443
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-phenylacetamide
CID 46574018
2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 30870238
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 34405578
2-(furan-2-yl)-5-[4-[2-(3-methylphenyl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 52772436
2-chloro-N'-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]benzohydrazide
CID 46594649
N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891778
N-(4-butoxy-2-methylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 55974424
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 16958106
N-(2-chlorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 43065748
2-[3-(furan-2-yl)-5-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 31027284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 30870277) is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1.
What is the InChIKey of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is CRHCZUCIWKYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-17-4-2-5-18(14-17)30-13-7-25-21(29)16-27-8-10-28(11-9-27)23-19(15-24)26-22(32-23)20-6-3-12-31-20/h2-6,12,14H,7-11,13,16H2,1H3,(H,25,29).
What are the key properties of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 30870277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).