[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium

C13H13N4O2+ — CID 171644745

IUPAC[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium
SMILESCc1cc(COc2cc(N)c(C=[NH2+])cc2C#N)no1
InChIInChI=1S/C13H12N4O2/c1-8-2-11(17-19-8)7-18-13-4-12(16)9(5-14)3-10(13)6-15/h2-5,14H,7,16H2,1H3/p+1
InChIKeyXKVMDIZDBMQSJP-UHFFFAOYSA-O
MW257.27 g/mol
LogP0.19
Rot. Bonds4

About [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium

[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium (PubChem CID 171644745) has the molecular formula C13H13N4O2+ and a molecular weight of 257.27 g/mol. Its IUPAC name is [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium.

Molecular Properties

Compound Name[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium
PubChem CID171644745
Molecular FormulaC13H13N4O2+
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium
SMILESCc1cc(COc2cc(N)c(C=[NH2+])cc2C#N)no1
InChIInChI=1S/C13H12N4O2/c1-8-2-11(17-19-8)7-18-13-4-12(16)9(5-14)3-10(13)6-15/h2-5,14H,7,16H2,1H3/p+1
InChIKeyXKVMDIZDBMQSJP-UHFFFAOYSA-O
XLogP0.19
TPSA110.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
CID 141045942
4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
CID 114322679
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
CID 66746103
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-nitrobenzaldehyde
CID 8951271
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320749

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium?
The IUPAC name of [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium (CID 171644745) is [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium.
What is the SMILES notation for [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium?
The canonical SMILES for [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium is Cc1cc(COc2cc(N)c(C=[NH2+])cc2C#N)no1.
What is the InChIKey of [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium?
The InChIKey is XKVMDIZDBMQSJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N4O2/c1-8-2-11(17-19-8)7-18-13-4-12(16)9(5-14)3-10(13)6-15/h2-5,14H,7,16H2,1H3/p+1.
What are the key properties of [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium?
[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium has a molecular weight of 257.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium is sourced from PubChem (CID 171644745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).