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

C21H22FN3O3 — CID 72944088

IUPACN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Oc3ccnc4c(F)cccc34)CC2)no1
InChIInChI=1S/C21H22FN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26)
InChIKeySNDPSGJDCPSJLQ-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.04
Rot. Bonds5

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

N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 72944088) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID72944088
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Oc3ccnc4c(F)cccc34)CC2)no1
InChIInChI=1S/C21H22FN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26)
InChIKeySNDPSGJDCPSJLQ-UHFFFAOYSA-N
XLogP4.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 72944088) is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCC(Oc3ccnc4c(F)cccc34)CC2)no1.
What is the InChIKey of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SNDPSGJDCPSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26).
What are the key properties of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72944088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).