N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

C26H29N5O5 — CID 55617966

IUPACN-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1
InChIInChI=1S/C26H29N5O5/c1-4-34-19-9-7-18(8-10-19)23(32)29-22(17(2)3)25(33)30-11-13-31(14-12-30)26-20(16-27)28-24(36-26)21-6-5-15-35-21/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,29,32)
InChIKeyLFBIAHZRNIOKRL-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.31
Rot. Bonds8

About N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (PubChem CID 55617966) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
PubChem CID55617966
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC NameN-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1
InChIInChI=1S/C26H29N5O5/c1-4-34-19-9-7-18(8-10-19)23(32)29-22(17(2)3)25(33)30-11-13-31(14-12-30)26-20(16-27)28-24(36-26)21-6-5-15-35-21/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,29,32)
InChIKeyLFBIAHZRNIOKRL-UHFFFAOYSA-N
XLogP3.31
TPSA124.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide with MolForge

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Related Compounds

N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55618201
5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 42587215
5-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55569275
2-(furan-2-yl)-5-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 86924526
5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 44616286
5-[4-[4-cyano-2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 163347325
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55731536
2-(4-chlorophenyl)-5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 42587136
methyl 4-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate
CID 55609286
2-(furan-2-yl)-5-[4-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
2-(3-chlorophenyl)-5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 42587192

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (CID 55617966) is N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1.
What is the InChIKey of N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The InChIKey is LFBIAHZRNIOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-4-34-19-9-7-18(8-10-19)23(32)29-22(17(2)3)25(33)30-11-13-31(14-12-30)26-20(16-27)28-24(36-26)21-6-5-15-35-21/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide has a molecular weight of 491.55 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 55617966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).