(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C19H15N3O4 — CID 38468072

IUPAC(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O4/c1-10-13-5-3-4-6-14(13)18(24)22(10)11(2)17(23)20-12-7-8-16-15(9-12)21-19(25)26-16/h3-9,11H,1H2,2H3,(H,20,23)(H,21,25)/t11-/m1/s1
InChIKeyJJNNUXVZPHWNRS-LLVKDONJSA-N
MW349.35 g/mol
LogP2.57
Rot. Bonds3

About (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 38468072) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID38468072
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H15N3O4/c1-10-13-5-3-4-6-14(13)18(24)22(10)11(2)17(23)20-12-7-8-16-15(9-12)21-19(25)26-16/h3-9,11H,1H2,2H3,(H,20,23)(H,21,25)/t11-/m1/s1
InChIKeyJJNNUXVZPHWNRS-LLVKDONJSA-N
XLogP2.57
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 24666659
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 52534515
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
CID 34031140
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 38468072) is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JJNNUXVZPHWNRS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-10-13-5-3-4-6-14(13)18(24)22(10)11(2)17(23)20-12-7-8-16-15(9-12)21-19(25)26-16/h3-9,11H,1H2,2H3,(H,20,23)(H,21,25)/t11-/m1/s1.
What are the key properties of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 349.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 38468072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).