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

C25H25N3O5 — CID 42844038

IUPACN-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccco2)C(=O)c2ccco2)c1
InChIInChI=1S/C25H25N3O5/c1-18-5-2-6-19(15-18)23-21(25(33-26-23)27-9-13-30-14-10-27)17-28(16-20-7-3-11-31-20)24(29)22-8-4-12-32-22/h2-8,11-12,15H,9-10,13-14,16-17H2,1H3
InChIKeyQOQHATWRYCHVKL-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.52
Rot. Bonds7

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

N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 42844038) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
PubChem CID42844038
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccco2)C(=O)c2ccco2)c1
InChIInChI=1S/C25H25N3O5/c1-18-5-2-6-19(15-18)23-21(25(33-26-23)27-9-13-30-14-10-27)17-28(16-20-7-3-11-31-20)24(29)22-8-4-12-32-22/h2-8,11-12,15H,9-10,13-14,16-17H2,1H3
InChIKeyQOQHATWRYCHVKL-UHFFFAOYSA-N
XLogP4.52
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028479
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028631
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]propanamide
CID 46028630
4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153638
2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
CID 42844069
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 46023511
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 46023504
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 46028627

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide (CID 42844038) is N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide is Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccco2)C(=O)c2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is QOQHATWRYCHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-18-5-2-6-19(15-18)23-21(25(33-26-23)27-9-13-30-14-10-27)17-28(16-20-7-3-11-31-20)24(29)22-8-4-12-32-22/h2-8,11-12,15H,9-10,13-14,16-17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42844038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).