5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide

C28H27N3O5 — CID 26282410

IUPAC5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@@H]4C[C@H]4c4ccccc4)c(C)o3)cc2)o1
InChIInChI=1S/C28H27N3O5/c1-17-24(15-29-26(32)23-14-22(23)18-6-4-3-5-7-18)31-28(35-17)19-8-10-20(11-9-19)30-27(33)25-13-12-21(36-25)16-34-2/h3-13,22-23H,14-16H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+/m0/s1
InChIKeyKVWOKBTUPJDBDI-XZOQPEGZSA-N
MW485.54 g/mol
LogP5.06
Rot. Bonds9

About 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 26282410) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID26282410
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@@H]4C[C@H]4c4ccccc4)c(C)o3)cc2)o1
InChIInChI=1S/C28H27N3O5/c1-17-24(15-29-26(32)23-14-22(23)18-6-4-3-5-7-18)31-28(35-17)19-8-10-20(11-9-19)30-27(33)25-13-12-21(36-25)16-34-2/h3-13,22-23H,14-16H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+/m0/s1
InChIKeyKVWOKBTUPJDBDI-XZOQPEGZSA-N
XLogP5.06
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 42451700
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 42430218
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 26275930
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CID 42472213
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
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5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (CID 26282410) is 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@@H]4C[C@H]4c4ccccc4)c(C)o3)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is KVWOKBTUPJDBDI-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-17-24(15-29-26(32)23-14-22(23)18-6-4-3-5-7-18)31-28(35-17)19-8-10-20(11-9-19)30-27(33)25-13-12-21(36-25)16-34-2/h3-13,22-23H,14-16H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26282410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).