N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide

C17H23N3O4 — CID 36970741

IUPACN-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-8-15(19-24-12)9-20(3)10-16(22)11-23-17-6-4-14(5-7-17)18-13(2)21/h4-8,16,22H,9-11H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyUJRPWFITPGYPPR-MRXNPFEDSA-N
MW333.39 g/mol
LogP1.81
Rot. Bonds8

About N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide

N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide (PubChem CID 36970741) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
PubChem CID36970741
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-8-15(19-24-12)9-20(3)10-16(22)11-23-17-6-4-14(5-7-17)18-13(2)21/h4-8,16,22H,9-11H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyUJRPWFITPGYPPR-MRXNPFEDSA-N
XLogP1.81
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86862693
N-(4-methoxyphenyl)-5-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 55680236
1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 110901978
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
CID 47526880

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide (CID 36970741) is N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2cc(C)on2)cc1.
What is the InChIKey of N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide?
The InChIKey is UJRPWFITPGYPPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-8-15(19-24-12)9-20(3)10-16(22)11-23-17-6-4-14(5-7-17)18-13(2)21/h4-8,16,22H,9-11H2,1-3H3,(H,18,21)/t16-/m1/s1.
What are the key properties of N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide?
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 36970741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).