4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide

C19H19N5O3 — CID 11990760

IUPAC4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-25-15-7-10(18(20)21)3-5-12(15)14-9-17(27-24-14)13-6-4-11(19(22)23)8-16(13)26-2/h3-9H,1-2H3,(H3,20,21)(H3,22,23)
InChIKeyPALSSTDKGLTYTI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.59
Rot. Bonds6

About 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide

4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide (PubChem CID 11990760) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
PubChem CID11990760
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-25-15-7-10(18(20)21)3-5-12(15)14-9-17(27-24-14)13-6-4-11(19(22)23)8-16(13)26-2/h3-9H,1-2H3,(H3,20,21)(H3,22,23)
InChIKeyPALSSTDKGLTYTI-UHFFFAOYSA-N
XLogP2.59
TPSA144.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide (CID 11990760) is 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c(OC)c1.
What is the InChIKey of 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The InChIKey is PALSSTDKGLTYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-25-15-7-10(18(20)21)3-5-12(15)14-9-17(27-24-14)13-6-4-11(19(22)23)8-16(13)26-2/h3-9H,1-2H3,(H3,20,21)(H3,22,23).
What are the key properties of 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide has a molecular weight of 365.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 11990760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).