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

C27H26FN3O5 — CID 46023511

IUPACN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1
InChIInChI=1S/C27H26FN3O5/c1-33-24-7-3-2-6-22(24)26(32)31(17-21-5-4-14-35-21)18-23-25(19-8-10-20(28)11-9-19)29-36-27(23)30-12-15-34-16-13-30/h2-11,14H,12-13,15-18H2,1H3
InChIKeyNVFMIGVPEPCQJR-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.76
Rot. Bonds8

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

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 46023511) has the molecular formula C27H26FN3O5 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID46023511
Molecular FormulaC27H26FN3O5
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1
InChIInChI=1S/C27H26FN3O5/c1-33-24-7-3-2-6-22(24)26(32)31(17-21-5-4-14-35-21)18-23-25(19-8-10-20(28)11-9-19)29-36-27(23)30-12-15-34-16-13-30/h2-11,14H,12-13,15-18H2,1H3
InChIKeyNVFMIGVPEPCQJR-UHFFFAOYSA-N
XLogP4.76
TPSA81.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 46023504
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 46023506
4-fluoro-N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028479
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46153491
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 24719750
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 24719720
N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46023597
N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42844038
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24719794
N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 46023595
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42682690

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 46023511) is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccccc1C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is NVFMIGVPEPCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O5/c1-33-24-7-3-2-6-22(24)26(32)31(17-21-5-4-14-35-21)18-23-25(19-8-10-20(28)11-9-19)29-36-27(23)30-12-15-34-16-13-30/h2-11,14H,12-13,15-18H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 491.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 46023511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).