N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C18H19N3O6 — CID 175480641

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NC(CO)C(N)=O)c3c2)o1
InChIInChI=1S/C18H19N3O6/c1-9-16(18(24)21-14(7-22)17(19)23)13-5-11(3-4-15(13)26-9)25-8-12-6-20-10(2)27-12/h3-6,14,22H,7-8H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyAHSKIQMCWZIVPV-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.19
Rot. Bonds7

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480641) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID175480641
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NC(CO)C(N)=O)c3c2)o1
InChIInChI=1S/C18H19N3O6/c1-9-16(18(24)21-14(7-22)17(19)23)13-5-11(3-4-15(13)26-9)25-8-12-6-20-10(2)27-12/h3-6,14,22H,7-8H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyAHSKIQMCWZIVPV-UHFFFAOYSA-N
XLogP1.19
TPSA140.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380698
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379968
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
CID 176877119
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(4-methyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129119
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380738
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129124
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 170347642
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380697
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(2-chloro-6-fluorophenyl)-dideuteriomethoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129126
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480431

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480641) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NC(CO)C(N)=O)c3c2)o1.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is AHSKIQMCWZIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-9-16(18(24)21-14(7-22)17(19)23)13-5-11(3-4-15(13)26-9)25-8-12-6-20-10(2)27-12/h3-6,14,22H,7-8H2,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).