ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide

C16H22N2O4 — CID 170584059

IUPACethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide
SMILESCC.Cc1cccc2c1oc(=O)n2C(C)CCC(=O)NC=O
InChIInChI=1S/C14H16N2O4.C2H6/c1-9-4-3-5-11-13(9)20-14(19)16(11)10(2)6-7-12(18)15-8-17;1-2/h3-5,8,10H,6-7H2,1-2H3,(H,15,17,18);1-2H3
InChIKeyYUGAFIIBXHLYAU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.54
Rot. Bonds5

About ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide

ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide (PubChem CID 170584059) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide
PubChem CID170584059
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide
SMILESCC.Cc1cccc2c1oc(=O)n2C(C)CCC(=O)NC=O
InChIInChI=1S/C14H16N2O4.C2H6/c1-9-4-3-5-11-13(9)20-14(19)16(11)10(2)6-7-12(18)15-8-17;1-2/h3-5,8,10H,6-7H2,1-2H3,(H,15,17,18);1-2H3
InChIKeyYUGAFIIBXHLYAU-UHFFFAOYSA-N
XLogP2.54
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 154684406
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
CID 167469919
N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
CID 170244907
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-formylpentanamide
CID 170624656
3,7-dimethyl-1,3-benzoxazol-2-one
CID 76847960
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
CID 154684223
4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide
CID 63579033
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
CID 170097464
N-formyl-2-[2-oxo-6-(2-oxoethyl)-1,3-benzoxazol-3-yl]pentanamide
CID 166948241

Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide?
The IUPAC name of ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide (CID 170584059) is ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide.
What is the SMILES notation for ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide?
The canonical SMILES for ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide is CC.Cc1cccc2c1oc(=O)n2C(C)CCC(=O)NC=O.
What is the InChIKey of ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide?
The InChIKey is YUGAFIIBXHLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4.C2H6/c1-9-4-3-5-11-13(9)20-14(19)16(11)10(2)6-7-12(18)15-8-17;1-2/h3-5,8,10H,6-7H2,1-2H3,(H,15,17,18);1-2H3.
What are the key properties of ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide?
ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide has a molecular weight of 306.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide is sourced from PubChem (CID 170584059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).