N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H16N2O4 — CID 99838523

IUPACN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C18H16N2O4/c21-17(10-20-14-6-2-4-8-16(14)24-18(20)22)19-13-9-12-5-1-3-7-15(12)23-11-13/h1-8,13H,9-11H2,(H,19,21)/t13-/m0/s1
InChIKeyNXLMDFWHUSXVAJ-ZDUSSCGKSA-N
MW324.34 g/mol
LogP1.71
Rot. Bonds3

About N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 99838523) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID99838523
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C18H16N2O4/c21-17(10-20-14-6-2-4-8-16(14)24-18(20)22)19-13-9-12-5-1-3-7-15(12)23-11-13/h1-8,13H,9-11H2,(H,19,21)/t13-/m0/s1
InChIKeyNXLMDFWHUSXVAJ-ZDUSSCGKSA-N
XLogP1.71
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 72897387
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5185790
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6938717
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
N-(3,4-dihydro-2H-chromen-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78901044
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91770090
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 99838523) is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NXLMDFWHUSXVAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(10-20-14-6-2-4-8-16(14)24-18(20)22)19-13-9-12-5-1-3-7-15(12)23-11-13/h1-8,13H,9-11H2,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 99838523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).