N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide

C17H17N3O3 — CID 56803502

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)NCCc2c(C)noc2C)c1
InChIInChI=1S/C17H17N3O3/c1-4-13-6-5-7-14(10-13)19-17(22)16(21)18-9-8-15-11(2)20-23-12(15)3/h1,5-7,10H,8-9H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyREJORZYCULWPIJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide (PubChem CID 56803502) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide
PubChem CID56803502
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)NCCc2c(C)noc2C)c1
InChIInChI=1S/C17H17N3O3/c1-4-13-6-5-7-14(10-13)19-17(22)16(21)18-9-8-15-11(2)20-23-12(15)3/h1,5-7,10H,8-9H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyREJORZYCULWPIJ-UHFFFAOYSA-N
XLogP1.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529882
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
N-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330018
N'-(3-ethynylphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 111444414
N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide
CID 95312423
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide (CID 56803502) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide is C#Cc1cccc(NC(=O)C(=O)NCCc2c(C)noc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide?
The InChIKey is REJORZYCULWPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-13-6-5-7-14(10-13)19-17(22)16(21)18-9-8-15-11(2)20-23-12(15)3/h1,5-7,10H,8-9H2,2-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide has a molecular weight of 311.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide is sourced from PubChem (CID 56803502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).