N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H20BrN3O3 — CID 72944083

IUPACN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)no1
InChIInChI=1S/C20H20BrN3O3/c1-12-11-17(24-27-12)20(25)23-13-5-7-14(8-6-13)26-18-9-10-22-19-15(18)3-2-4-16(19)21/h2-4,9-11,13-14H,5-8H2,1H3,(H,23,25)
InChIKeyREQDIIXPFUIHKZ-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 72944083) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID72944083
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)no1
InChIInChI=1S/C20H20BrN3O3/c1-12-11-17(24-27-12)20(25)23-13-5-7-14(8-6-13)26-18-9-10-22-19-15(18)3-2-4-16(19)21/h2-4,9-11,13-14H,5-8H2,1H3,(H,23,25)
InChIKeyREQDIIXPFUIHKZ-UHFFFAOYSA-N
XLogP4.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 72944083) is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)no1.
What is the InChIKey of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is REQDIIXPFUIHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-12-11-17(24-27-12)20(25)23-13-5-7-14(8-6-13)26-18-9-10-22-19-15(18)3-2-4-16(19)21/h2-4,9-11,13-14H,5-8H2,1H3,(H,23,25).
What are the key properties of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72944083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).