1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine

C19H30N4O2 — CID 110058444

IUPAC1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCc1noc(CC)c1C/N=C(\NCCc1ccco1)NC(C)CC
InChIInChI=1S/C19H30N4O2/c1-5-14(4)22-19(20-11-10-15-9-8-12-24-15)21-13-16-17(6-2)23-25-18(16)7-3/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H2,20,21,22)
InChIKeyVAABQOJDYDWXQQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.47
Rot. Bonds9

About 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine

1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110058444) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110058444
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCc1noc(CC)c1C/N=C(\NCCc1ccco1)NC(C)CC
InChIInChI=1S/C19H30N4O2/c1-5-14(4)22-19(20-11-10-15-9-8-12-24-15)21-13-16-17(6-2)23-25-18(16)7-3/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H2,20,21,22)
InChIKeyVAABQOJDYDWXQQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide
CID 110058461
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111491446
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110058473
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110058456
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111841887
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110945378
1-butan-2-yl-2-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842327
1-butan-2-yl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842137
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine
CID 110051794
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111492144
N-[3-[[(butan-2-ylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]propyl]acetamide
CID 111842232
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111842106

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine (CID 110058444) is 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine is CCc1noc(CC)c1C/N=C(\NCCc1ccco1)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is VAABQOJDYDWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-14(4)22-19(20-11-10-15-9-8-12-24-15)21-13-16-17(6-2)23-25-18(16)7-3/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 346.48 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110058444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).