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

C18H17N5O2 — CID 11990735

IUPAC4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c1
InChIInChI=1S/C18H17N5O2/c1-24-15-8-12(18(21)22)5-6-13(15)16-9-14(23-25-16)10-3-2-4-11(7-10)17(19)20/h2-9H,1H3,(H3,19,20)(H3,21,22)
InChIKeyWTFRMWFBKZQRMX-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.59
Rot. Bonds5

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

4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide (PubChem CID 11990735) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
PubChem CID11990735
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c1
InChIInChI=1S/C18H17N5O2/c1-24-15-8-12(18(21)22)5-6-13(15)16-9-14(23-25-16)10-3-2-4-11(7-10)17(19)20/h2-9H,1H3,(H3,19,20)(H3,21,22)
InChIKeyWTFRMWFBKZQRMX-UHFFFAOYSA-N
XLogP2.59
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide (CID 11990735) is 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2cc(-c3ccc(/C(N)=N/[H])cc3OC)on2)c1.
What is the InChIKey of 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
The InChIKey is WTFRMWFBKZQRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-15-8-12(18(21)22)5-6-13(15)16-9-14(23-25-16)10-3-2-4-11(7-10)17(19)20/h2-9H,1H3,(H3,19,20)(H3,21,22).
What are the key properties of 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide?
4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide has a molecular weight of 335.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 11990735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).