N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H19N3O3 — CID 90551725

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)Cc2c(C)noc2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-17(13(2)24-21-12)11-18(23)19-10-4-5-15-6-8-16(9-7-15)20-14(3)22/h6-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyQRNGEGDGDYLBIA-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.96
Rot. Bonds4

About N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 90551725) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID90551725
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)Cc2c(C)noc2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-17(13(2)24-21-12)11-18(23)19-10-4-5-15-6-8-16(9-7-15)20-14(3)22/h6-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyQRNGEGDGDYLBIA-UHFFFAOYSA-N
XLogP1.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90552000
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90548552
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551449
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetamide
CID 139911276
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107240
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35337246

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 90551725) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is CC(=O)Nc1ccc(C#CCNC(=O)Cc2c(C)noc2C)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is QRNGEGDGDYLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-17(13(2)24-21-12)11-18(23)19-10-4-5-15-6-8-16(9-7-15)20-14(3)22/h6-9H,10-11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 90551725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).