2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide

C16H30IN5O2 — CID 111595547

IUPAC2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCc1ncc(C(C)(C)C)o1.I
InChIInChI=1S/C16H29N5O2.HI/c1-6-8-18-13(22)10-20-15(17-7-2)21-11-14-19-9-12(23-14)16(3,4)5;/h9H,6-8,10-11H2,1-5H3,(H,18,22)(H2,17,20,21);1H
InChIKeyUAEWAJWWDOQDHM-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.17
Rot. Bonds7

About 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide

2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111595547) has the molecular formula C16H30IN5O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111595547
Molecular FormulaC16H30IN5O2
Molecular Weight451.35 g/mol
Exact Mass451.14
IUPAC Name2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCc1ncc(C(C)(C)C)o1.I
InChIInChI=1S/C16H29N5O2.HI/c1-6-8-18-13(22)10-20-15(17-7-2)21-11-14-19-9-12(23-14)16(3,4)5;/h9H,6-8,10-11H2,1-5H3,(H,18,22)(H2,17,20,21);1H
InChIKeyUAEWAJWWDOQDHM-UHFFFAOYSA-N
XLogP2.17
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide 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-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111594547
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111594283
3-[[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 111594026
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111595517
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 111595383
methyl 5-[[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 111592590
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111592350
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-ethylguanidine
CID 111595083
N-[4-[[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111593823
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111595518
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111595633
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111594878

Frequently Asked Questions

What is the IUPAC name of 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide (CID 111595547) is 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)NCc1ncc(C(C)(C)C)o1.I.
What is the InChIKey of 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is UAEWAJWWDOQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2.HI/c1-6-8-18-13(22)10-20-15(17-7-2)21-11-14-19-9-12(23-14)16(3,4)5;/h9H,6-8,10-11H2,1-5H3,(H,18,22)(H2,17,20,21);1H.
What are the key properties of 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111595547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).