N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide

C23H25F2N5O2 — CID 51039035

IUPACN-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)N1CCN(c2cc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H25F2N5O2/c24-23(25)9-7-17(8-10-23)26-22(31)30-13-11-29(12-14-30)21-15-20(28-32-21)19-6-5-16-3-1-2-4-18(16)27-19/h1-6,15,17H,7-14H2,(H,26,31)
InChIKeySYJRSMWLNCYMTI-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.30
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide

N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide (PubChem CID 51039035) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide
PubChem CID51039035
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC NameN-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)N1CCN(c2cc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H25F2N5O2/c24-23(25)9-7-17(8-10-23)26-22(31)30-13-11-29(12-14-30)21-15-20(28-32-21)19-6-5-16-3-1-2-4-18(16)27-19/h1-6,15,17H,7-14H2,(H,26,31)
InChIKeySYJRSMWLNCYMTI-UHFFFAOYSA-N
XLogP4.30
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide (CID 51039035) is N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide is O=C(NC1CCC(F)(F)CC1)N1CCN(c2cc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide?
The InChIKey is SYJRSMWLNCYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c24-23(25)9-7-17(8-10-23)26-22(31)30-13-11-29(12-14-30)21-15-20(28-32-21)19-6-5-16-3-1-2-4-18(16)27-19/h1-6,15,17H,7-14H2,(H,26,31).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide?
N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-(3-quinolin-2-yl-1,2-oxazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51039035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).