N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C24H26FN3O5 — CID 42682736

IUPACN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)CC1CCCO1
InChIInChI=1S/C24H26FN3O5/c25-20-7-2-1-6-18(20)22-19(24(33-26-22)27-9-13-30-14-10-27)16-28(15-17-5-3-11-31-17)23(29)21-8-4-12-32-21/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2
InChIKeyYDTDBJUVCBIUDA-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.73
Rot. Bonds7

About N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 42682736) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID42682736
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)CC1CCCO1
InChIInChI=1S/C24H26FN3O5/c25-20-7-2-1-6-18(20)22-19(24(33-26-22)27-9-13-30-14-10-27)16-28(15-17-5-3-11-31-17)23(29)21-8-4-12-32-21/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2
InChIKeyYDTDBJUVCBIUDA-UHFFFAOYSA-N
XLogP3.73
TPSA81.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 42682736) is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is O=C(c1ccco1)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)CC1CCCO1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is YDTDBJUVCBIUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c25-20-7-2-1-6-18(20)22-19(24(33-26-22)27-9-13-30-14-10-27)16-28(15-17-5-3-11-31-17)23(29)21-8-4-12-32-21/h1-2,4,6-8,12,17H,3,5,9-11,13-16H2.
What are the key properties of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42682736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).