N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

C22H27FN4O4 — CID 86869234

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCC3(c4cccc(F)c4)CCOCC3)CC2)on1
InChIInChI=1S/C22H27FN4O4/c1-16-13-19(31-25-16)20(28)26-7-9-27(10-8-26)21(29)24-15-22(5-11-30-12-6-22)17-3-2-4-18(23)14-17/h2-4,13-14H,5-12,15H2,1H3,(H,24,29)
InChIKeyBXECJBQYOOMNSP-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.34
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (PubChem CID 86869234) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
PubChem CID86869234
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCC3(c4cccc(F)c4)CCOCC3)CC2)on1
InChIInChI=1S/C22H27FN4O4/c1-16-13-19(31-25-16)20(28)26-7-9-27(10-8-26)21(29)24-15-22(5-11-30-12-6-22)17-3-2-4-18(23)14-17/h2-4,13-14H,5-12,15H2,1H3,(H,24,29)
InChIKeyBXECJBQYOOMNSP-UHFFFAOYSA-N
XLogP2.34
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51120737
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 46974939
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502841
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide (CID 86869234) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)NCC3(c4cccc(F)c4)CCOCC3)CC2)on1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
The InChIKey is BXECJBQYOOMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-16-13-19(31-25-16)20(28)26-7-9-27(10-8-26)21(29)24-15-22(5-11-30-12-6-22)17-3-2-4-18(23)14-17/h2-4,13-14H,5-12,15H2,1H3,(H,24,29).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86869234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).