(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one

C15H19N3O3 — CID 41042415

IUPAC(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H19N3O3/c1-10(15(19)18-5-7-20-8-6-18)16-12-3-4-14-13(9-12)17-11(2)21-14/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyNYSZRZUMLNIMPM-SNVBAGLBSA-N
MW289.34 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one

(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 41042415) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID41042415
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H19N3O3/c1-10(15(19)18-5-7-20-8-6-18)16-12-3-4-14-13(9-12)17-11(2)21-14/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyNYSZRZUMLNIMPM-SNVBAGLBSA-N
XLogP1.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 31922526
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 17488732
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 17456697
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 41042415) is (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one is Cc1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1.
What is the InChIKey of (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NYSZRZUMLNIMPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(15(19)18-5-7-20-8-6-18)16-12-3-4-14-13(9-12)17-11(2)21-14/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 289.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 41042415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).