N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

C24H33N5O3 — CID 54768831

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1
InChIInChI=1S/C24H33N5O3/c1-17-16-22(32-27-17)24(30)26-19-4-2-18(3-5-19)7-10-28-11-13-29(14-12-28)23-20-8-15-31-21(20)6-9-25-23/h6,9,16,18-19H,2-5,7-8,10-15H2,1H3,(H,26,30)
InChIKeyFUAJGUYRNZZDBH-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.81
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 54768831) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID54768831
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1
InChIInChI=1S/C24H33N5O3/c1-17-16-22(32-27-17)24(30)26-19-4-2-18(3-5-19)7-10-28-11-13-29(14-12-28)23-20-8-15-31-21(20)6-9-25-23/h6,9,16,18-19H,2-5,7-8,10-15H2,1H3,(H,26,30)
InChIKeyFUAJGUYRNZZDBH-UHFFFAOYSA-N
XLogP2.81
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 54768831) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is FUAJGUYRNZZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-16-22(32-27-17)24(30)26-19-4-2-18(3-5-19)7-10-28-11-13-29(14-12-28)23-20-8-15-31-21(20)6-9-25-23/h6,9,16,18-19H,2-5,7-8,10-15H2,1H3,(H,26,30).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 54768831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).