N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C19H20N2O4 — CID 125156599

IUPACN-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(-c3cccc(C(=O)N(C)C[C@@H](O)CO)c3)ccc2o1
InChIInChI=1S/C19H20N2O4/c1-12-20-17-9-14(6-7-18(17)25-12)13-4-3-5-15(8-13)19(24)21(2)10-16(23)11-22/h3-9,16,22-23H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOVILUGAMXRIDCI-MRXNPFEDSA-N
MW340.38 g/mol
LogP2.23
Rot. Bonds5

About N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide

N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 125156599) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID125156599
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(-c3cccc(C(=O)N(C)C[C@@H](O)CO)c3)ccc2o1
InChIInChI=1S/C19H20N2O4/c1-12-20-17-9-14(6-7-18(17)25-12)13-4-3-5-15(8-13)19(24)21(2)10-16(23)11-22/h3-9,16,22-23H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyOVILUGAMXRIDCI-MRXNPFEDSA-N
XLogP2.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
CID 115251983
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95906928
N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide
CID 119063822
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 118782158
N-[(2S)-2-hydroxy-2-phenylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 42384410
(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 116917263
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
CID 126443638

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 125156599) is N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(-c3cccc(C(=O)N(C)C[C@@H](O)CO)c3)ccc2o1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is OVILUGAMXRIDCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-20-17-9-14(6-7-18(17)25-12)13-4-3-5-15(8-13)19(24)21(2)10-16(23)11-22/h3-9,16,22-23H,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 125156599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).