2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide

C20H23N3O4 — CID 99942348

IUPAC2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc3nc(C)oc3c2)N2CCOCC2)o1
InChIInChI=1S/C20H23N3O4/c1-13-3-6-18(26-13)17(23-7-9-25-10-8-23)12-21-20(24)15-4-5-16-19(11-15)27-14(2)22-16/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyJYMSNOWUIWNERE-KRWDZBQOSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide

2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 99942348) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID99942348
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc3nc(C)oc3c2)N2CCOCC2)o1
InChIInChI=1S/C20H23N3O4/c1-13-3-6-18(26-13)17(23-7-9-25-10-8-23)12-21-20(24)15-4-5-16-19(11-15)27-14(2)22-16/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyJYMSNOWUIWNERE-KRWDZBQOSA-N
XLogP2.84
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide with MolForge

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Related Compounds

3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 126423370
1-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24643806
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55452026
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide (CID 99942348) is 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide is Cc1ccc([C@H](CNC(=O)c2ccc3nc(C)oc3c2)N2CCOCC2)o1.
What is the InChIKey of 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is JYMSNOWUIWNERE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-3-6-18(26-13)17(23-7-9-25-10-8-23)12-21-20(24)15-4-5-16-19(11-15)27-14(2)22-16/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide?
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 99942348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).