2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide

C11H15N3O2 — CID 106371689

IUPAC2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
SMILESC#CCC(N)C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H15N3O2/c1-4-5-9(12)11(15)13-6-10-14-7(2)8(3)16-10/h1,9H,5-6,12H2,2-3H3,(H,13,15)
InChIKeyIPNFQIRDYVHOFA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide (PubChem CID 106371689) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
PubChem CID106371689
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
SMILESC#CCC(N)C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H15N3O2/c1-4-5-9(12)11(15)13-6-10-14-7(2)8(3)16-10/h1,9H,5-6,12H2,2-3H3,(H,13,15)
InChIKeyIPNFQIRDYVHOFA-UHFFFAOYSA-N
XLogP0.26
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106371744
(2S)-2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 106371782
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
CID 114180290
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide?
The IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide (CID 106371689) is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide is C#CCC(N)C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide?
The InChIKey is IPNFQIRDYVHOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-5-9(12)11(15)13-6-10-14-7(2)8(3)16-10/h1,9H,5-6,12H2,2-3H3,(H,13,15).
What are the key properties of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide?
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide has a molecular weight of 221.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide is sourced from PubChem (CID 106371689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).