4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide

C10H12N2O2 — CID 104581007

IUPAC4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
SMILESCC#CCCNC(=O)c1ocnc1C
InChIInChI=1S/C10H12N2O2/c1-3-4-5-6-11-10(13)9-8(2)12-7-14-9/h7H,5-6H2,1-2H3,(H,11,13)
InChIKeyCTDXQMLKAPZGLI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.13
Rot. Bonds3

About 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide

4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide (PubChem CID 104581007) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
PubChem CID104581007
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
SMILESCC#CCCNC(=O)c1ocnc1C
InChIInChI=1S/C10H12N2O2/c1-3-4-5-6-11-10(13)9-8(2)12-7-14-9/h7H,5-6H2,1-2H3,(H,11,13)
InChIKeyCTDXQMLKAPZGLI-UHFFFAOYSA-N
XLogP1.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-pent-3-ynylfuran-3-carboxamide
CID 114822799
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106245346
4-methyl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110686212
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
N-pent-3-ynylfuran-2-carboxamide
CID 115977286
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide (CID 104581007) is 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide is CC#CCCNC(=O)c1ocnc1C.
What is the InChIKey of 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide?
The InChIKey is CTDXQMLKAPZGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-4-5-6-11-10(13)9-8(2)12-7-14-9/h7H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide?
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 104581007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).